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

C18H20BrN3O2 — CID 54811111

IUPAC3-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)CNc2ccc(Br)cc2)c1
InChIInChI=1S/C18H20BrN3O2/c1-2-10-20-18(24)13-4-3-5-16(11-13)22-17(23)12-21-15-8-6-14(19)7-9-15/h3-9,11,21H,2,10,12H2,1H3,(H,20,24)(H,22,23)
InChIKeyMJHAZTWMBYIHOV-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.64
Rot. Bonds7

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

3-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide (PubChem CID 54811111) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 3-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide
PubChem CID54811111
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC Name3-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)CNc2ccc(Br)cc2)c1
InChIInChI=1S/C18H20BrN3O2/c1-2-10-20-18(24)13-4-3-5-16(11-13)22-17(23)12-21-15-8-6-14(19)7-9-15/h3-9,11,21H,2,10,12H2,1H3,(H,20,24)(H,22,23)
InChIKeyMJHAZTWMBYIHOV-UHFFFAOYSA-N
XLogP3.64
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-butylbenzamide
CID 54833854
3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide
CID 54811079
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide
CID 54815949
3-[[2-(4-heptoxyanilino)acetyl]amino]-N-propylbenzamide
CID 54821404
3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838924
N-butyl-3-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 54810309
N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810805
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838861
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide
CID 54838617

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide (CID 54811111) is 3-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NC(=O)CNc2ccc(Br)cc2)c1.
What is the InChIKey of 3-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide?
The InChIKey is MJHAZTWMBYIHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-2-10-20-18(24)13-4-3-5-16(11-13)22-17(23)12-21-15-8-6-14(19)7-9-15/h3-9,11,21H,2,10,12H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 3-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide?
3-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide has a molecular weight of 390.28 g/mol, XLogP of 3.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 54811111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).