N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide

C15H18Cl2N2O — CID 11580456

IUPACN-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(C1CC1)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C15H18Cl2N2O/c16-12-4-3-11(14(17)7-12)9-19(13-5-6-18-8-13)15(20)10-1-2-10/h3-4,7,10,13,18H,1-2,5-6,8-9H2/t13-/m0/s1
InChIKeyABWNRPAQIBGXIY-ZDUSSCGKSA-N
MW313.23 g/mol
LogP3.09
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide

N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 11580456) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID11580456
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(C1CC1)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C15H18Cl2N2O/c16-12-4-3-11(14(17)7-12)9-19(13-5-6-18-8-13)15(20)10-1-2-10/h3-4,7,10,13,18H,1-2,5-6,8-9H2/t13-/m0/s1
InChIKeyABWNRPAQIBGXIY-ZDUSSCGKSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide 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

Diclocymet
CID 11527333
Uamc00039
CID 11232124
1-Benzyl-N-{3-[4-(2,6-Dichlorophenyl)piperidin-1-Yl]propyl}-D-Prolinamide
CID 25001412
Gsk1370319A
CID 67461788
2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide
CID 23550315
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
1-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4880709
(S)-2,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)benzamide
CID 11336016
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(2-methyl-piperidin-1-yl)-butan-1-one
CID 11359214
(S)-N-(2,3-dichlorobenzyl)-3-methyl-N-(pyrrolidin-3-yl)butanamide
CID 11500848
(S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)pentanamide
CID 11515426

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide (CID 11580456) is N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide is O=C(C1CC1)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is ABWNRPAQIBGXIY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c16-12-4-3-11(14(17)7-12)9-19(13-5-6-18-8-13)15(20)10-1-2-10/h3-4,7,10,13,18H,1-2,5-6,8-9H2/t13-/m0/s1.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide?
N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 313.23 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 11580456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).