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

C22H20ClN3O2 — CID 54816136

IUPACN-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide
SMILESCc1ccc(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1Cl
InChIInChI=1S/C22H20ClN3O2/c1-15-10-11-17(13-20(15)23)24-14-21(27)25-18-8-5-9-19(12-18)26-22(28)16-6-3-2-4-7-16/h2-13,24H,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyQEZQYUQIKUDFHB-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.95
Rot. Bonds6

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

N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide (PubChem CID 54816136) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide
PubChem CID54816136
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC NameN-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide
SMILESCc1ccc(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1Cl
InChIInChI=1S/C22H20ClN3O2/c1-15-10-11-17(13-20(15)23)24-14-21(27)25-18-8-5-9-19(12-18)26-22(28)16-6-3-2-4-7-16/h2-13,24H,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyQEZQYUQIKUDFHB-UHFFFAOYSA-N
XLogP4.95
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide
CID 54810283
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide
CID 54815949
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 54816056
N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839157
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide
CID 54813402
N-benzyl-3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-methylbenzamide
CID 54816242
N-benzyl-3-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54842189
N-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide
CID 54840105
N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 54839125
N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide
CID 54814514
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834712

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide (CID 54816136) is N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide is Cc1ccc(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1Cl.
What is the InChIKey of N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide?
The InChIKey is QEZQYUQIKUDFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-15-10-11-17(13-20(15)23)24-14-21(27)25-18-8-5-9-19(12-18)26-22(28)16-6-3-2-4-7-16/h2-13,24H,14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide?
N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide has a molecular weight of 393.87 g/mol, XLogP of 4.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 54816136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).