N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide

C22H21N3O3 — CID 54814514

IUPACN-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide
SMILESCOc1cccc(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C22H21N3O3/c1-28-20-12-6-9-17(14-20)23-15-21(26)24-18-10-5-11-19(13-18)25-22(27)16-7-3-2-4-8-16/h2-14,23H,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyQIZVLLJVRXJWFS-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.00
Rot. Bonds7

About N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide

N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide (PubChem CID 54814514) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide
PubChem CID54814514
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide
SMILESCOc1cccc(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C22H21N3O3/c1-28-20-12-6-9-17(14-20)23-15-21(26)24-18-10-5-11-19(13-18)25-22(27)16-7-3-2-4-8-16/h2-14,23H,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyQIZVLLJVRXJWFS-UHFFFAOYSA-N
XLogP4.00
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(3-methoxyanilino)acetyl]amino]phenyl]-3-methylbenzamide
CID 54814544
3-[[2-(3-methoxyanilino)acetyl]amino]benzamide
CID 54814576
N-[3-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]benzamide
CID 54829298
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-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide
CID 54840105
4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9083996
4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840781
N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide
CID 54811131
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 55355003
N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide
CID 36915136
N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide
CID 54816136

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide (CID 54814514) is N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide is COc1cccc(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1.
What is the InChIKey of N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide?
The InChIKey is QIZVLLJVRXJWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-28-20-12-6-9-17(14-20)23-15-21(26)24-18-10-5-11-19(13-18)25-22(27)16-7-3-2-4-8-16/h2-14,23H,15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide?
N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide has a molecular weight of 375.43 g/mol, XLogP of 4.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 54814514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).