N-[(1R)-1-(4-bromophenyl)ethyl]-2-chloro-4-nitrobenzamide

C15H12BrClN2O3 — CID 8752391

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-2-chloro-4-nitrobenzamide
SMILESC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrClN2O3/c1-9(10-2-4-11(16)5-3-10)18-15(20)13-7-6-12(19(21)22)8-14(13)17/h2-9H,1H3,(H,18,20)/t9-/m1/s1
InChIKeyAAPXPXLDXADPTB-SECBINFHSA-N
MW383.63 g/mol
LogP4.50
Rot. Bonds4

About N-[(1R)-1-(4-bromophenyl)ethyl]-2-chloro-4-nitrobenzamide

N-[(1R)-1-(4-bromophenyl)ethyl]-2-chloro-4-nitrobenzamide (PubChem CID 8752391) has the molecular formula C15H12BrClN2O3 and a molecular weight of 383.63 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-2-chloro-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-chloro-4-nitrobenzamide
PubChem CID8752391
Molecular FormulaC15H12BrClN2O3
Molecular Weight383.63 g/mol
Exact Mass381.97
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-chloro-4-nitrobenzamide
SMILESC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrClN2O3/c1-9(10-2-4-11(16)5-3-10)18-15(20)13-7-6-12(19(21)22)8-14(13)17/h2-9H,1H3,(H,18,20)/t9-/m1/s1
InChIKeyAAPXPXLDXADPTB-SECBINFHSA-N
XLogP4.50
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.63
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-(4-bromophenyl)ethyl]-2-chloro-4-nitrobenzamide 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

2-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-4-nitrobenzamide
CID 95943564
2-chloro-4-nitro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585316
2-chloro-4-nitro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 46441304
2-chloro-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-nitrobenzamide
CID 42948348
N-[1-(4-bromophenyl)ethyl]-2-(methylamino)-5-nitrobenzamide
CID 24544627
2-chloro-4-nitro-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 8820241
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide
CID 47097751
1-N,3-N-bis[1-(4-bromophenyl)ethyl]-5-nitrobenzene-1,3-dicarboxamide
CID 23741423
N-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide
CID 43805366
N-[1-[1-(4-bromophenyl)propan-2-ylamino]-3-methyl-1-oxobutan-2-yl]-2-chloro-4-nitrobenzamide
CID 55778451
2-chloro-N-(1,1-diphenylpropan-2-yl)-4-nitrobenzamide
CID 55588452
2-[(2-chloro-4-nitrobenzoyl)amino]-3-hydroxybutanoic acid
CID 43238714

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-chloro-4-nitrobenzamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-chloro-4-nitrobenzamide (CID 8752391) is N-[(1R)-1-(4-bromophenyl)ethyl]-2-chloro-4-nitrobenzamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-2-chloro-4-nitrobenzamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-2-chloro-4-nitrobenzamide is C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-2-chloro-4-nitrobenzamide?
The InChIKey is AAPXPXLDXADPTB-SECBINFHSA-N. The full InChI is InChI=1S/C15H12BrClN2O3/c1-9(10-2-4-11(16)5-3-10)18-15(20)13-7-6-12(19(21)22)8-14(13)17/h2-9H,1H3,(H,18,20)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-2-chloro-4-nitrobenzamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-2-chloro-4-nitrobenzamide has a molecular weight of 383.63 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-2-chloro-4-nitrobenzamide is sourced from PubChem (CID 8752391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).