cis-(1S,2R)-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-2-(propylaminomethyl)cyclopropane-1-carboxamide

C22H25Cl2FN2O — CID 53322354

IUPACcis-(1S,2R)-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-2-(propylaminomethyl)cyclopropane-1-carboxamide
SMILESCCCNC[C@@H]1C[C@@]1(C(=O)N(C)Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H25Cl2FN2O/c1-3-10-26-13-17-12-22(17,16-6-9-19(23)20(24)11-16)21(28)27(2)14-15-4-7-18(25)8-5-15/h4-9,11,17,26H,3,10,12-14H2,1-2H3/t17-,22+/m0/s1
InChIKeyHNTNQXKCVNBBOA-HTAPYJJXSA-N
MW423.36 g/mol
LogP5.05
Rot. Bonds8

About cis-(1S,2R)-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-2-(propylaminomethyl)cyclopropane-1-carboxamide

cis-(1S,2R)-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-2-(propylaminomethyl)cyclopropane-1-carboxamide (PubChem CID 53322354) has the molecular formula C22H25Cl2FN2O and a molecular weight of 423.36 g/mol. Its IUPAC name is cis-(1S,2R)-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-2-(propylaminomethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-2-(propylaminomethyl)cyclopropane-1-carboxamide
PubChem CID53322354
Molecular FormulaC22H25Cl2FN2O
Molecular Weight423.36 g/mol
Exact Mass422.13
IUPAC Namecis-(1S,2R)-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-2-(propylaminomethyl)cyclopropane-1-carboxamide
SMILESCCCNC[C@@H]1C[C@@]1(C(=O)N(C)Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H25Cl2FN2O/c1-3-10-26-13-17-12-22(17,16-6-9-19(23)20(24)11-16)21(28)27(2)14-15-4-7-18(25)8-5-15/h4-9,11,17,26H,3,10,12-14H2,1-2H3/t17-,22+/m0/s1
InChIKeyHNTNQXKCVNBBOA-HTAPYJJXSA-N
XLogP5.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.36
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze cis-(1S,2R)-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-2-(propylaminomethyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S)-2-(Aminomethyl)-1-(3-chlorophenyl)-N,N-diethylcyclopropane-1-carboxamide--hydrogen chloride (1/1)
CID 13718701
(1R,2S)-2-(Aminomethyl)-1-(4-chlorophenyl)-N,N-diethylcyclopropane-1-carboxamide--hydrogen chloride (1/1)
CID 13718703
(1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropanecarboxamide
CID 11273015
(1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2-((4-phenyl-4-(piperidine-1-carbonyl)piperidin-1-yl)methyl)cyclopropanecarboxamide
CID 11498183
(1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-1-(4-chlorophenyl)-N-(4-fluorobenzyl)-N-methylcyclopropanecarboxamide
CID 11526802
(1R,2S)-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropanecarboxamide
CID 11657014
(1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2-((4-(N-methylacetamido)-4-phenylpiperidin-1-yl)methyl)cyclopropanecarboxamide
CID 11685645
4-(3,4-Dichloro-phenyl)-8-[2-(4-fluoro-phenyl)-cyclohexyl]-2,8-diaza-spiro[4.5]decan-1-one
CID 21082574
N-[4-[4-(2-Acetylamino-ethyl)-piperidin-1-yl]-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide
CID 22405753
rac-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-N-(2-chlorobenzyl)-1-(3,4-dichlorophenyl)-N-methylcyclopropanecarboxamide
CID 44216344
(1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2-((4-phenyl-4-ureidopiperidin-1-yl)methyl)cyclopropanecarboxamide
CID 53317092
(1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-2-((4-(3,3-dimethylureido)-4-phenylpiperidin-1-yl)methyl)-N-methylcyclopropanecarboxamide
CID 53319719

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-2-(propylaminomethyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-2-(propylaminomethyl)cyclopropane-1-carboxamide (CID 53322354) is cis-(1S,2R)-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-2-(propylaminomethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-2-(propylaminomethyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-2-(propylaminomethyl)cyclopropane-1-carboxamide is CCCNC[C@@H]1C[C@@]1(C(=O)N(C)Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of cis-(1S,2R)-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-2-(propylaminomethyl)cyclopropane-1-carboxamide?
The InChIKey is HNTNQXKCVNBBOA-HTAPYJJXSA-N. The full InChI is InChI=1S/C22H25Cl2FN2O/c1-3-10-26-13-17-12-22(17,16-6-9-19(23)20(24)11-16)21(28)27(2)14-15-4-7-18(25)8-5-15/h4-9,11,17,26H,3,10,12-14H2,1-2H3/t17-,22+/m0/s1.
What are the key properties of cis-(1S,2R)-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-2-(propylaminomethyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-2-(propylaminomethyl)cyclopropane-1-carboxamide has a molecular weight of 423.36 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-2-(propylaminomethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 53322354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).