N-[2-[(2,5-dibromophenyl)carbamoylamino]ethyl]benzamide

C16H15Br2N3O2 — CID 55698403

IUPACN-[2-[(2,5-dibromophenyl)carbamoylamino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccccc1)Nc1cc(Br)ccc1Br
InChIInChI=1S/C16H15Br2N3O2/c17-12-6-7-13(18)14(10-12)21-16(23)20-9-8-19-15(22)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,22)(H2,20,21,23)
InChIKeyCYTBCCNQCYGRGP-UHFFFAOYSA-N
MW441.12 g/mol
LogP3.76
Rot. Bonds5

About N-[2-[(2,5-dibromophenyl)carbamoylamino]ethyl]benzamide

N-[2-[(2,5-dibromophenyl)carbamoylamino]ethyl]benzamide (PubChem CID 55698403) has the molecular formula C16H15Br2N3O2 and a molecular weight of 441.12 g/mol. Its IUPAC name is N-[2-[(2,5-dibromophenyl)carbamoylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2,5-dibromophenyl)carbamoylamino]ethyl]benzamide
PubChem CID55698403
Molecular FormulaC16H15Br2N3O2
Molecular Weight441.12 g/mol
Exact Mass438.95
IUPAC NameN-[2-[(2,5-dibromophenyl)carbamoylamino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccccc1)Nc1cc(Br)ccc1Br
InChIInChI=1S/C16H15Br2N3O2/c17-12-6-7-13(18)14(10-12)21-16(23)20-9-8-19-15(22)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,22)(H2,20,21,23)
InChIKeyCYTBCCNQCYGRGP-UHFFFAOYSA-N
XLogP3.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.12
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(2,5-dibromophenyl)carbamoylamino]ethyl]benzamide 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-dibromophenyl)carbamoylamino]propanoic acid
CID 54954210
1-(2,5-dibromophenyl)-3-prop-2-enylurea
CID 47033525
N-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide
CID 47032142
N-[3-(2,5-dibromoanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 39166512
3-[(2,5-dibromophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66176576
N-[(2,4-dibromophenyl)methyl]benzamide
CID 175587612
2-chloro-N-[(2,5-dibromophenyl)carbamoyl]acetamide
CID 61468365
N-[2-(methylcarbamoylamino)ethyl]benzamide
CID 47152136
2-[[(2,5-dibromophenyl)carbamoylamino]methyl]butanoic acid
CID 65223594
1-[[(2,5-dibromophenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446547
N-[2-(3-bromophenyl)ethyl]benzamide
CID 90847047
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-dibromophenyl)carbamoylamino]ethyl]benzamide?
The IUPAC name of N-[2-[(2,5-dibromophenyl)carbamoylamino]ethyl]benzamide (CID 55698403) is N-[2-[(2,5-dibromophenyl)carbamoylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-[(2,5-dibromophenyl)carbamoylamino]ethyl]benzamide?
The canonical SMILES for N-[2-[(2,5-dibromophenyl)carbamoylamino]ethyl]benzamide is O=C(NCCNC(=O)c1ccccc1)Nc1cc(Br)ccc1Br.
What is the InChIKey of N-[2-[(2,5-dibromophenyl)carbamoylamino]ethyl]benzamide?
The InChIKey is CYTBCCNQCYGRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2N3O2/c17-12-6-7-13(18)14(10-12)21-16(23)20-9-8-19-15(22)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,22)(H2,20,21,23).
What are the key properties of N-[2-[(2,5-dibromophenyl)carbamoylamino]ethyl]benzamide?
N-[2-[(2,5-dibromophenyl)carbamoylamino]ethyl]benzamide has a molecular weight of 441.12 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,5-dibromophenyl)carbamoylamino]ethyl]benzamide is sourced from PubChem (CID 55698403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).