2-chloro-N-methyl-4-(3-methylbutan-2-ylcarbamoylamino)benzamide

C14H20ClN3O2 — CID 47325828

IUPAC2-chloro-N-methyl-4-(3-methylbutan-2-ylcarbamoylamino)benzamide
SMILESCNC(=O)c1ccc(NC(=O)NC(C)C(C)C)cc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-8(2)9(3)17-14(20)18-10-5-6-11(12(15)7-10)13(19)16-4/h5-9H,1-4H3,(H,16,19)(H2,17,18,20)
InChIKeyUZQGTLBOQCNIJC-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.87
Rot. Bonds4

About 2-chloro-N-methyl-4-(3-methylbutan-2-ylcarbamoylamino)benzamide

2-chloro-N-methyl-4-(3-methylbutan-2-ylcarbamoylamino)benzamide (PubChem CID 47325828) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-chloro-N-methyl-4-(3-methylbutan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-4-(3-methylbutan-2-ylcarbamoylamino)benzamide
PubChem CID47325828
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-chloro-N-methyl-4-(3-methylbutan-2-ylcarbamoylamino)benzamide
SMILESCNC(=O)c1ccc(NC(=O)NC(C)C(C)C)cc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-8(2)9(3)17-14(20)18-10-5-6-11(12(15)7-10)13(19)16-4/h5-9H,1-4H3,(H,16,19)(H2,17,18,20)
InChIKeyUZQGTLBOQCNIJC-UHFFFAOYSA-N
XLogP2.87
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-methyl-4-(3-methylbutan-2-ylcarbamoylamino)benzamide 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-chloro-4-(3-methylbutan-2-ylcarbamoylamino)benzoic acid
CID 61398725
2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47325563
N-methyl-3-(3-methylbutan-2-ylcarbamoylamino)benzamide
CID 51080300
4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide
CID 119299938
2-chloro-4-(hexylcarbamoylamino)-N-methylbenzamide
CID 60543564
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-methylbenzamide
CID 119742691
2-chloro-4-(diethylcarbamoylamino)-N-methylbenzamide
CID 47325825
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
2-bromo-5-(3-methylbutan-2-ylcarbamoylamino)benzoic acid
CID 113281201
2-chloro-4-[2-(4-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide
CID 60543458
2-chloro-4-(4-methylpentan-2-ylcarbamoylamino)benzoic acid
CID 61399288
2-chloro-N-(3-methylbutan-2-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 133250022

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-4-(3-methylbutan-2-ylcarbamoylamino)benzamide?
The IUPAC name of 2-chloro-N-methyl-4-(3-methylbutan-2-ylcarbamoylamino)benzamide (CID 47325828) is 2-chloro-N-methyl-4-(3-methylbutan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for 2-chloro-N-methyl-4-(3-methylbutan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for 2-chloro-N-methyl-4-(3-methylbutan-2-ylcarbamoylamino)benzamide is CNC(=O)c1ccc(NC(=O)NC(C)C(C)C)cc1Cl.
What is the InChIKey of 2-chloro-N-methyl-4-(3-methylbutan-2-ylcarbamoylamino)benzamide?
The InChIKey is UZQGTLBOQCNIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-8(2)9(3)17-14(20)18-10-5-6-11(12(15)7-10)13(19)16-4/h5-9H,1-4H3,(H,16,19)(H2,17,18,20).
What are the key properties of 2-chloro-N-methyl-4-(3-methylbutan-2-ylcarbamoylamino)benzamide?
2-chloro-N-methyl-4-(3-methylbutan-2-ylcarbamoylamino)benzamide has a molecular weight of 297.79 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-4-(3-methylbutan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 47325828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).