2-[[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]methylamino]benzamide

C22H20BrN3O2 — CID 171062625

IUPAC2-[[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]methylamino]benzamide
SMILESNC(=O)c1ccccc1NCc1cccc(NC(=O)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C22H20BrN3O2/c23-17-10-8-15(9-11-17)13-21(27)26-18-5-3-4-16(12-18)14-25-20-7-2-1-6-19(20)22(24)28/h1-12,25H,13-14H2,(H2,24,28)(H,26,27)
InChIKeyKCBFVDIJGYEXBN-UHFFFAOYSA-N
MW438.33 g/mol
LogP4.34
Rot. Bonds7

About 2-[[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]methylamino]benzamide

2-[[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]methylamino]benzamide (PubChem CID 171062625) has the molecular formula C22H20BrN3O2 and a molecular weight of 438.33 g/mol. Its IUPAC name is 2-[[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]methylamino]benzamide.

Molecular Properties

Compound Name2-[[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]methylamino]benzamide
PubChem CID171062625
Molecular FormulaC22H20BrN3O2
Molecular Weight438.33 g/mol
Exact Mass437.07
IUPAC Name2-[[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]methylamino]benzamide
SMILESNC(=O)c1ccccc1NCc1cccc(NC(=O)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C22H20BrN3O2/c23-17-10-8-15(9-11-17)13-21(27)26-18-5-3-4-16(12-18)14-25-20-7-2-1-6-19(20)22(24)28/h1-12,25H,13-14H2,(H2,24,28)(H,26,27)
InChIKeyKCBFVDIJGYEXBN-UHFFFAOYSA-N
XLogP4.34
TPSA84.22 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 ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(phenylcarbamoylamino)phenyl]methylamino]benzamide
CID 171062567
2-[[3-(N-acetyl-4-bromoanilino)phenyl]methylamino]benzamide
CID 175550780
2-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 54840155
N-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide
CID 46451248
2-amino-3-[(3-bromophenyl)methylamino]benzamide
CID 113332669
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide
CID 55902721
1-[2-[(3-bromophenyl)methylamino]phenyl]ethanone
CID 102579783
2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]benzamide
CID 17119515
4-[[3-(3-methylbutanoylamino)phenyl]methylamino]pyridine-3-carboxamide
CID 133468780
2-(4-bromophenyl)-N-(3-methoxyphenyl)acetamide
CID 2205638
2-(4-bromophenyl)-N-(3-cyanophenyl)acetamide
CID 2124999
2-(2-anilino-2-oxoethyl)benzamide
CID 173153266

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]methylamino]benzamide?
The IUPAC name of 2-[[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]methylamino]benzamide (CID 171062625) is 2-[[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]methylamino]benzamide.
What is the SMILES notation for 2-[[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]methylamino]benzamide?
The canonical SMILES for 2-[[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]methylamino]benzamide is NC(=O)c1ccccc1NCc1cccc(NC(=O)Cc2ccc(Br)cc2)c1.
What is the InChIKey of 2-[[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]methylamino]benzamide?
The InChIKey is KCBFVDIJGYEXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O2/c23-17-10-8-15(9-11-17)13-21(27)26-18-5-3-4-16(12-18)14-25-20-7-2-1-6-19(20)22(24)28/h1-12,25H,13-14H2,(H2,24,28)(H,26,27).
What are the key properties of 2-[[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]methylamino]benzamide?
2-[[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]methylamino]benzamide has a molecular weight of 438.33 g/mol, XLogP of 4.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]methylamino]benzamide is sourced from PubChem (CID 171062625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).