4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide

C12H14ClN3O2 — CID 47223819

IUPAC4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)NC2CC2)c1
InChIInChI=1S/C12H14ClN3O2/c1-14-11(17)7-2-5-9(13)10(6-7)16-12(18)15-8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyFSORKETTYYULKL-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.98
Rot. Bonds3

About 4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide

4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide (PubChem CID 47223819) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide
PubChem CID47223819
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)NC2CC2)c1
InChIInChI=1S/C12H14ClN3O2/c1-14-11(17)7-2-5-9(13)10(6-7)16-12(18)15-8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyFSORKETTYYULKL-UHFFFAOYSA-N
XLogP1.98
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-chloro-3-(cyclopropylcarbamoylamino)-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

4-chloro-3-(cyclobutylcarbamoylamino)benzoic acid
CID 62415793
4-chloro-N-methyl-3-(thian-4-ylamino)benzamide
CID 43721059
3-[(2-amino-2-cyclopropylpropanoyl)amino]-4-chloro-N-methylbenzamide
CID 60866296
4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47223817
4-chloro-3-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
CID 113467373
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide
CID 43721027
3-(butylcarbamoylamino)-4-chloro-N-methylbenzamide
CID 47223827
1-(5-bromo-2-chlorophenyl)-3-(4-hydroxycyclohexyl)urea
CID 56824183
4-chloro-3-[(2-cyclohexyloxyacetyl)amino]-N-methylbenzamide
CID 87004616
tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate
CID 65142598
3-[(2-amino-2-methylbutanoyl)amino]-4-chloro-N-methylbenzamide
CID 79796922

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide?
The IUPAC name of 4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide (CID 47223819) is 4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide.
What is the SMILES notation for 4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide?
The canonical SMILES for 4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide is CNC(=O)c1ccc(Cl)c(NC(=O)NC2CC2)c1.
What is the InChIKey of 4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide?
The InChIKey is FSORKETTYYULKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-14-11(17)7-2-5-9(13)10(6-7)16-12(18)15-8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,14,17)(H2,15,16,18).
What are the key properties of 4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide?
4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide has a molecular weight of 267.72 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide is sourced from PubChem (CID 47223819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).