N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide

C17H16BrN3O3 — CID 54790881

IUPACN-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H16BrN3O3/c1-2-15(22)19-14-9-5-12(6-10-14)17(24)21-20-16(23)11-3-7-13(18)8-4-11/h3-10H,2H2,1H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyUOBZVDCLTVXBSL-UHFFFAOYSA-N
MW390.24 g/mol
LogP2.87
Rot. Bonds4

About N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide

N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide (PubChem CID 54790881) has the molecular formula C17H16BrN3O3 and a molecular weight of 390.24 g/mol. Its IUPAC name is N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide
PubChem CID54790881
Molecular FormulaC17H16BrN3O3
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC NameN-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H16BrN3O3/c1-2-15(22)19-14-9-5-12(6-10-14)17(24)21-20-16(23)11-3-7-13(18)8-4-11/h3-10H,2H2,1H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyUOBZVDCLTVXBSL-UHFFFAOYSA-N
XLogP2.87
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-oxo-4-[2-[4-(propanoylamino)benzoyl]hydrazinyl]but-2-enoic acid
CID 3374526
N-[4-[[[4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
CID 17353591
N-(4-bromo-2-fluorophenyl)-4-(propanoylamino)benzamide
CID 2991219
N-[4-[(3-phenylpropanoylamino)carbamoyl]phenyl]propanamide
CID 600576
4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]pentanamide
CID 4925761
N-[4-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]propanamide
CID 5229018
ethyl 3-[2-[4-(propanoylamino)benzoyl]hydrazinyl]but-2-enoate
CID 5152071
4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide
CID 54811079
S-methyl 4-(propanoylamino)benzenecarbothioate
CID 142069454
N-[4-[[[2-(2-ethoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
CID 17122839
N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]propanamide
CID 17195562

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide?
The IUPAC name of N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide (CID 54790881) is N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide?
The InChIKey is UOBZVDCLTVXBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3/c1-2-15(22)19-14-9-5-12(6-10-14)17(24)21-20-16(23)11-3-7-13(18)8-4-11/h3-10H,2H2,1H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide?
N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide has a molecular weight of 390.24 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide is sourced from PubChem (CID 54790881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).