N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide

C14H17ClN2O2 — CID 62726652

IUPACN-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide
SMILESCC(CCl)C(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C14H17ClN2O2/c1-9(8-15)13(18)16-11-3-2-4-12(7-11)17-14(19)10-5-6-10/h2-4,7,9-10H,5-6,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyNDADWMSIUJPOKJ-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.85
Rot. Bonds5

About N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide

N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide (PubChem CID 62726652) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide
PubChem CID62726652
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC NameN-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide
SMILESCC(CCl)C(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C14H17ClN2O2/c1-9(8-15)13(18)16-11-3-2-4-12(7-11)17-14(19)10-5-6-10/h2-4,7,9-10H,5-6,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyNDADWMSIUJPOKJ-UHFFFAOYSA-N
XLogP2.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]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

N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 79201789
N-(3-acetamidophenyl)-3-chloro-2-methylpropanamide
CID 62728455
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942
N-[3-[[(2S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61250751
N-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide
CID 55110387
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 43201742
N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 95352627
3-chloro-2-methyl-N-[3-(sulfamoylamino)phenyl]propanamide
CID 62726620
N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide
CID 114293194
N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119710490

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide (CID 62726652) is N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide is CC(CCl)C(=O)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide?
The InChIKey is NDADWMSIUJPOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9(8-15)13(18)16-11-3-2-4-12(7-11)17-14(19)10-5-6-10/h2-4,7,9-10H,5-6,8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide?
N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide has a molecular weight of 280.76 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 62726652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).