4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide

C12H16ClN3O2 — CID 43697266

IUPAC4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
SMILESCNCC(=O)Nc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-14-7-11(17)15-10-6-8(4-5-9(10)13)12(18)16(2)3/h4-6,14H,7H2,1-3H3,(H,15,17)
InChIKeyKVAUDFUUPICZOA-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.20
Rot. Bonds4

About 4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide

4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide (PubChem CID 43697266) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
PubChem CID43697266
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
SMILESCNCC(=O)Nc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-14-7-11(17)15-10-6-8(4-5-9(10)13)12(18)16(2)3/h4-6,14H,7H2,1-3H3,(H,15,17)
InChIKeyKVAUDFUUPICZOA-UHFFFAOYSA-N
XLogP1.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]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

3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 78954083
N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119719084
4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 38957066
5-[2-chloro-5-(dimethylcarbamoyl)anilino]-5-oxopentanoic acid
CID 60940816
N-(2-chloro-5-methylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119705341
4-chloro-N,N-dimethyl-3-[[2-(2-methylindol-1-yl)acetyl]amino]benzamide
CID 55603749
4-chloro-N,N-dimethyl-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide
CID 86998308
4-chloro-3-[[2-(4-iodophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 55670012
3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 61265397
2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119718973
3-(but-2-enoylamino)-4-chloro-N,N-dimethylbenzamide
CID 112727335
(E)-4-[2-chloro-5-(dimethylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 60940815

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide?
The IUPAC name of 4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide (CID 43697266) is 4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide is CNCC(=O)Nc1cc(C(=O)N(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide?
The InChIKey is KVAUDFUUPICZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-14-7-11(17)15-10-6-8(4-5-9(10)13)12(18)16(2)3/h4-6,14H,7H2,1-3H3,(H,15,17).
What are the key properties of 4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide?
4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide has a molecular weight of 269.73 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide is sourced from PubChem (CID 43697266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).