N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide

C22H20BrN3O2 — CID 54840404

IUPACN-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide
SMILESO=C(CNc1cccc(Br)c1)Nc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C22H20BrN3O2/c23-18-7-4-8-20(13-18)24-15-21(27)26-19-11-9-17(10-12-19)22(28)25-14-16-5-2-1-3-6-16/h1-13,24H,14-15H2,(H,25,28)(H,26,27)
InChIKeySULOAUINWPGNJD-UHFFFAOYSA-N
MW438.33 g/mol
LogP4.43
Rot. Bonds7

About N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide

N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide (PubChem CID 54840404) has the molecular formula C22H20BrN3O2 and a molecular weight of 438.33 g/mol. Its IUPAC name is N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide
PubChem CID54840404
Molecular FormulaC22H20BrN3O2
Molecular Weight438.33 g/mol
Exact Mass437.07
IUPAC NameN-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide
SMILESO=C(CNc1cccc(Br)c1)Nc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C22H20BrN3O2/c23-18-7-4-8-20(13-18)24-15-21(27)26-19-11-9-17(10-12-19)22(28)25-14-16-5-2-1-3-6-16/h1-13,24H,14-15H2,(H,25,28)(H,26,27)
InChIKeySULOAUINWPGNJD-UHFFFAOYSA-N
XLogP4.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.33
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54844304
N-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide
CID 54839752
N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844536
N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54843743
N-benzyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843316
N-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide
CID 54840105
4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 46633398
N-benzyl-4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]benzamide
CID 54829711
methyl 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817135
N-benzyl-4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]benzamide
CID 54844035
4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54835804
N-benzyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54844716

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide (CID 54840404) is N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide is O=C(CNc1cccc(Br)c1)Nc1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide?
The InChIKey is SULOAUINWPGNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O2/c23-18-7-4-8-20(13-18)24-15-21(27)26-19-11-9-17(10-12-19)22(28)25-14-16-5-2-1-3-6-16/h1-13,24H,14-15H2,(H,25,28)(H,26,27).
What are the key properties of N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide?
N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide has a molecular weight of 438.33 g/mol, XLogP of 4.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54840404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).