3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide

C14H19ClN2O — CID 62727759

IUPAC3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(CCl)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C14H19ClN2O/c1-11(10-15)14(18)16-12-4-6-13(7-5-12)17-8-2-3-9-17/h4-7,11H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyIRXNKGOEZLMNRC-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.10
Rot. Bonds4

About 3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide

3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 62727759) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID62727759
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(CCl)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C14H19ClN2O/c1-11(10-15)14(18)16-12-4-6-13(7-5-12)17-8-2-3-9-17/h4-7,11H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyIRXNKGOEZLMNRC-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide 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

(2S)-N-[4-(azepan-1-yl)phenyl]-2-chloropropanamide
CID 51869081
(2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide
CID 54996178
2,2-dichloro-N-(4-piperidin-1-ylphenyl)acetamide
CID 1480241
N-[4-(azepan-1-yl)phenyl]-2-bromobutanamide
CID 62855929
2-bromo-N-(4-piperidin-1-ylphenyl)butanamide
CID 62856119
(2S)-2-amino-N-[4-(azepan-1-yl)phenyl]butanamide
CID 79022944
3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide
CID 55111079
4-[(3-chloro-2-methylpropanoyl)amino]benzoic acid
CID 62727614
(2R)-2-amino-N-[4-(azepan-1-yl)phenyl]-3-methylbutanamide
CID 79011906
2-methyl-3-[(4-pyrrolidin-1-ylphenyl)carbamoylamino]propanoic acid
CID 63179912
2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 60661179
2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 134062601

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 62727759) is 3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide is CC(CCl)C(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is IRXNKGOEZLMNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-11(10-15)14(18)16-12-4-6-13(7-5-12)17-8-2-3-9-17/h4-7,11H,2-3,8-10H2,1H3,(H,16,18).
What are the key properties of 3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide?
3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 266.77 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 62727759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).