3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide

C17H18ClN3O2 — CID 51167571

IUPAC3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(C)C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClN3O2/c1-11(16(22)21-15-8-4-6-13(18)10-15)20-14-7-3-5-12(9-14)17(23)19-2/h3-11,20H,1-2H3,(H,19,23)(H,21,22)
InChIKeyVSVMJAGFZRFDMZ-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.14
Rot. Bonds5

About 3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide

3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide (PubChem CID 51167571) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
PubChem CID51167571
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(C)C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClN3O2/c1-11(16(22)21-15-8-4-6-13(18)10-15)20-14-7-3-5-12(9-14)17(23)19-2/h3-11,20H,1-2H3,(H,19,23)(H,21,22)
InChIKeyVSVMJAGFZRFDMZ-UHFFFAOYSA-N
XLogP3.14
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-iodoanilino)propanoylamino]-N-methylbenzamide
CID 112811069
3-[[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 51243989
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
3-(2-chloropropanoylamino)-N-methylbenzamide
CID 43244627
3-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 17485799
(2S)-N-(3-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 31267963
3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide
CID 43100379
N-methyl-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]benzamide
CID 47120773
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
CID 2404784
N-methyl-3-[[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]amino]benzamide
CID 95302647
3-[2-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide
CID 134037507
(2R)-N-(3-chlorophenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 97347601

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide (CID 51167571) is 3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(C)C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide?
The InChIKey is VSVMJAGFZRFDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-11(16(22)21-15-8-4-6-13(18)10-15)20-14-7-3-5-12(9-14)17(23)19-2/h3-11,20H,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide?
3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide has a molecular weight of 331.80 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 51167571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).