N-(4-aminophenyl)-N-[(3-bromophenyl)methylcarbamoyl]acetamide

C16H16BrN3O2 — CID 108898789

IUPACN-(4-aminophenyl)-N-[(3-bromophenyl)methylcarbamoyl]acetamide
SMILESCC(=O)N(C(=O)NCc1cccc(Br)c1)c1ccc(N)cc1
InChIInChI=1S/C16H16BrN3O2/c1-11(21)20(15-7-5-14(18)6-8-15)16(22)19-10-12-3-2-4-13(17)9-12/h2-9H,10,18H2,1H3,(H,19,22)
InChIKeyUWTKCCSPDQTYHW-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.29
Rot. Bonds3

About N-(4-aminophenyl)-N-[(3-bromophenyl)methylcarbamoyl]acetamide

N-(4-aminophenyl)-N-[(3-bromophenyl)methylcarbamoyl]acetamide (PubChem CID 108898789) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-[(3-bromophenyl)methylcarbamoyl]acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-[(3-bromophenyl)methylcarbamoyl]acetamide
PubChem CID108898789
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC NameN-(4-aminophenyl)-N-[(3-bromophenyl)methylcarbamoyl]acetamide
SMILESCC(=O)N(C(=O)NCc1cccc(Br)c1)c1ccc(N)cc1
InChIInChI=1S/C16H16BrN3O2/c1-11(21)20(15-7-5-14(18)6-8-15)16(22)19-10-12-3-2-4-13(17)9-12/h2-9H,10,18H2,1H3,(H,19,22)
InChIKeyUWTKCCSPDQTYHW-UHFFFAOYSA-N
XLogP3.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-N-[(3-bromophenyl)methylcarbamoyl]acetamide 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

N-(4-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide
CID 108899030
3-[(3-bromophenyl)methyl]-1-ethyl-1-methylurea
CID 78917448
2-[(3-bromophenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 62820601
(2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride
CID 119279834
3-[(3-aminophenyl)methyl]-1,1-dimethylurea
CID 79153723
1-[(3-bromophenyl)methyl]-3-[4-(diethylamino)phenyl]urea
CID 108898942
2-[(3-bromophenyl)methylcarbamoyl-propylamino]acetic acid
CID 61414401
methyl 3-[(3-bromophenyl)methylamino]-3-oxopropanoate
CID 115174358
3-[(3-bromophenyl)methylamino]-2,2-dimethylpropanamide
CID 115582736
N-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898790
(Z)-N-[(3-bromophenyl)methyl]-2-methylpent-2-enamide
CID 60553199
3-amino-N-[(3-bromophenyl)methyl]-3-methylbutanamide
CID 64678020

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-[(3-bromophenyl)methylcarbamoyl]acetamide?
The IUPAC name of N-(4-aminophenyl)-N-[(3-bromophenyl)methylcarbamoyl]acetamide (CID 108898789) is N-(4-aminophenyl)-N-[(3-bromophenyl)methylcarbamoyl]acetamide.
What is the SMILES notation for N-(4-aminophenyl)-N-[(3-bromophenyl)methylcarbamoyl]acetamide?
The canonical SMILES for N-(4-aminophenyl)-N-[(3-bromophenyl)methylcarbamoyl]acetamide is CC(=O)N(C(=O)NCc1cccc(Br)c1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-[(3-bromophenyl)methylcarbamoyl]acetamide?
The InChIKey is UWTKCCSPDQTYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c1-11(21)20(15-7-5-14(18)6-8-15)16(22)19-10-12-3-2-4-13(17)9-12/h2-9H,10,18H2,1H3,(H,19,22).
What are the key properties of N-(4-aminophenyl)-N-[(3-bromophenyl)methylcarbamoyl]acetamide?
N-(4-aminophenyl)-N-[(3-bromophenyl)methylcarbamoyl]acetamide has a molecular weight of 362.23 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-[(3-bromophenyl)methylcarbamoyl]acetamide is sourced from PubChem (CID 108898789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).