3-[(2-amino-2-cyclopropylpropanoyl)amino]-4-chloro-N-methylbenzamide

C14H18ClN3O2 — CID 60866296

IUPAC3-[(2-amino-2-cyclopropylpropanoyl)amino]-4-chloro-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)C(C)(N)C2CC2)c1
InChIInChI=1S/C14H18ClN3O2/c1-14(16,9-4-5-9)13(20)18-11-7-8(12(19)17-2)3-6-10(11)15/h3,6-7,9H,4-5,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyXCIIFFRXASDDMQ-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.77
Rot. Bonds4

About 3-[(2-amino-2-cyclopropylpropanoyl)amino]-4-chloro-N-methylbenzamide

3-[(2-amino-2-cyclopropylpropanoyl)amino]-4-chloro-N-methylbenzamide (PubChem CID 60866296) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-[(2-amino-2-cyclopropylpropanoyl)amino]-4-chloro-N-methylbenzamide.

Molecular Properties

Compound Name3-[(2-amino-2-cyclopropylpropanoyl)amino]-4-chloro-N-methylbenzamide
PubChem CID60866296
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name3-[(2-amino-2-cyclopropylpropanoyl)amino]-4-chloro-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)C(C)(N)C2CC2)c1
InChIInChI=1S/C14H18ClN3O2/c1-14(16,9-4-5-9)13(20)18-11-7-8(12(19)17-2)3-6-10(11)15/h3,6-7,9H,4-5,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyXCIIFFRXASDDMQ-UHFFFAOYSA-N
XLogP1.77
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(2-amino-2-cyclopropylpropanoyl)amino]-4-chloro-N-methylbenzamide 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

2-amino-N-(5-bromo-2-chlorophenyl)-2-cyclopropylpropanamide
CID 62908062
3-[(2-amino-2-methylbutanoyl)amino]-4-chloro-N-methylbenzamide
CID 79796922
2-amino-2-cyclopropyl-N-(2,4,5-trichlorophenyl)propanamide
CID 60867137
2-amino-N-(2-chloro-5-sulfamoylphenyl)-2-cyclopropylpropanamide
CID 60867729
4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide
CID 47223819
tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate
CID 65142598
4-chloro-N-methyl-3-(thian-4-ylamino)benzamide
CID 43721059
3-[(2-amino-2-methylpropanoyl)amino]-4-chlorobenzoic acid
CID 61267024
4-chloro-N-methyl-3-[(5-methyloxolan-2-yl)methylamino]benzamide
CID 82834816
4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide
CID 43721027
2-amino-N-(2-chloro-4-nitrophenyl)-2-cyclopropylpropanamide
CID 54925136
methyl 4-[(2-amino-2-cyclopropylpropanoyl)amino]-3-methylbenzoate
CID 60867367

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-cyclopropylpropanoyl)amino]-4-chloro-N-methylbenzamide?
The IUPAC name of 3-[(2-amino-2-cyclopropylpropanoyl)amino]-4-chloro-N-methylbenzamide (CID 60866296) is 3-[(2-amino-2-cyclopropylpropanoyl)amino]-4-chloro-N-methylbenzamide.
What is the SMILES notation for 3-[(2-amino-2-cyclopropylpropanoyl)amino]-4-chloro-N-methylbenzamide?
The canonical SMILES for 3-[(2-amino-2-cyclopropylpropanoyl)amino]-4-chloro-N-methylbenzamide is CNC(=O)c1ccc(Cl)c(NC(=O)C(C)(N)C2CC2)c1.
What is the InChIKey of 3-[(2-amino-2-cyclopropylpropanoyl)amino]-4-chloro-N-methylbenzamide?
The InChIKey is XCIIFFRXASDDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-14(16,9-4-5-9)13(20)18-11-7-8(12(19)17-2)3-6-10(11)15/h3,6-7,9H,4-5,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-[(2-amino-2-cyclopropylpropanoyl)amino]-4-chloro-N-methylbenzamide?
3-[(2-amino-2-cyclopropylpropanoyl)amino]-4-chloro-N-methylbenzamide has a molecular weight of 295.77 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-cyclopropylpropanoyl)amino]-4-chloro-N-methylbenzamide is sourced from PubChem (CID 60866296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).