4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzamide

C16H16ClN3O2 — CID 46537886

IUPAC4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzamide
SMILESCc1ccc(NCC(=O)Nc2ccc(C(N)=O)cc2)cc1Cl
InChIInChI=1S/C16H16ClN3O2/c1-10-2-5-13(8-14(10)17)19-9-15(21)20-12-6-3-11(4-7-12)16(18)22/h2-8,19H,9H2,1H3,(H2,18,22)(H,20,21)
InChIKeyVDBWDGKLCFMQPA-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.80
Rot. Bonds5

About 4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzamide

4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzamide (PubChem CID 46537886) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzamide
PubChem CID46537886
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzamide
SMILESCc1ccc(NCC(=O)Nc2ccc(C(N)=O)cc2)cc1Cl
InChIInChI=1S/C16H16ClN3O2/c1-10-2-5-13(8-14(10)17)19-9-15(21)20-12-6-3-11(4-7-12)16(18)22/h2-8,19H,9H2,1H3,(H2,18,22)(H,20,21)
InChIKeyVDBWDGKLCFMQPA-UHFFFAOYSA-N
XLogP2.80
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzoate
CID 54816569
2-(3-chloro-4-methylanilino)acetohydrazide
CID 865656
4-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 37474850
2-(4-chloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 9098971
N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide
CID 54816136
4-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54816004
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 54816056
4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 46633398
N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 109007872
methyl 3-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]benzoate
CID 36587024
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide
CID 54815949
4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzamide
CID 55362429

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzamide (CID 46537886) is 4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzamide is Cc1ccc(NCC(=O)Nc2ccc(C(N)=O)cc2)cc1Cl.
What is the InChIKey of 4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzamide?
The InChIKey is VDBWDGKLCFMQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-10-2-5-13(8-14(10)17)19-9-15(21)20-12-6-3-11(4-7-12)16(18)22/h2-8,19H,9H2,1H3,(H2,18,22)(H,20,21).
What are the key properties of 4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzamide?
4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzamide has a molecular weight of 317.78 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 46537886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).