cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide

C18H17Cl2NO2 — CID 96564552

IUPACcis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C18H17Cl2NO2/c1-2-23-15-5-3-14(4-6-15)21-18(22)17-10-16(17)11-7-12(19)9-13(20)8-11/h3-9,16-17H,2,10H2,1H3,(H,21,22)/t16-,17-/m1/s1
InChIKeyLLAYMJPUPQJSLM-IAGOWNOFSA-N
MW350.25 g/mol
LogP5.13
Rot. Bonds5

About cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide

cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 96564552) has the molecular formula C18H17Cl2NO2 and a molecular weight of 350.25 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide
PubChem CID96564552
Molecular FormulaC18H17Cl2NO2
Molecular Weight350.25 g/mol
Exact Mass349.06
IUPAC Namecis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C18H17Cl2NO2/c1-2-23-15-5-3-14(4-6-15)21-18(22)17-10-16(17)11-7-12(19)9-13(20)8-11/h3-9,16-17H,2,10H2,1H3,(H,21,22)/t16-,17-/m1/s1
InChIKeyLLAYMJPUPQJSLM-IAGOWNOFSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.25
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(4-ethoxyphenyl)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

1-N-(4-chlorophenyl)-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142941
cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96564449
methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143528
2-N-(4-ethoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142430
1-N-(2,3-dichlorophenyl)-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143544
(1S,2S,4S)-N-(4-ethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7101788
(1R,2R,4S)-N-(4-ethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 839866
1-N-butan-2-yl-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109131727
trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid
CID 39058010
(1R,6S)-6-[(4-ethoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 7409849
4-amino-N-(4-ethoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211304
2-(3,4-difluorophenyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]cyclopropane-1-carboxamide
CID 86903478

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide (CID 96564552) is cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide is CCOc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is LLAYMJPUPQJSLM-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H17Cl2NO2/c1-2-23-15-5-3-14(4-6-15)21-18(22)17-10-16(17)11-7-12(19)9-13(20)8-11/h3-9,16-17H,2,10H2,1H3,(H,21,22)/t16-,17-/m1/s1.
What are the key properties of cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 350.25 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 96564552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).