2-(4-bromoanilino)-N-(4-chloro-2-nitrophenyl)acetamide

C14H11BrClN3O3 — CID 7492495

IUPAC2-(4-bromoanilino)-N-(4-chloro-2-nitrophenyl)acetamide
SMILESO=C(CNc1ccc(Br)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11BrClN3O3/c15-9-1-4-11(5-2-9)17-8-14(20)18-12-6-3-10(16)7-13(12)19(21)22/h1-7,17H,8H2,(H,18,20)
InChIKeySUCJCDITFLJQHC-UHFFFAOYSA-N
MW384.62 g/mol
LogP4.06
Rot. Bonds5

About 2-(4-bromoanilino)-N-(4-chloro-2-nitrophenyl)acetamide

2-(4-bromoanilino)-N-(4-chloro-2-nitrophenyl)acetamide (PubChem CID 7492495) has the molecular formula C14H11BrClN3O3 and a molecular weight of 384.62 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-(4-chloro-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-(4-chloro-2-nitrophenyl)acetamide
PubChem CID7492495
Molecular FormulaC14H11BrClN3O3
Molecular Weight384.62 g/mol
Exact Mass382.97
IUPAC Name2-(4-bromoanilino)-N-(4-chloro-2-nitrophenyl)acetamide
SMILESO=C(CNc1ccc(Br)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11BrClN3O3/c15-9-1-4-11(5-2-9)17-8-14(20)18-12-6-3-10(16)7-13(12)19(21)22/h1-7,17H,8H2,(H,18,20)
InChIKeySUCJCDITFLJQHC-UHFFFAOYSA-N
XLogP4.06
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.62
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-anilino-N-(4-bromo-2-nitrophenyl)acetamide
CID 60860936
2-(4-bromoanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 7492460
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 35643288
2-(4-chloro-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide
CID 9195708
2-(4-chloroanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 26506560
N-(4-chloro-2-nitrophenyl)-2-ethoxyacetamide
CID 60719107
3-amino-N-(4-chloro-2-nitrophenyl)butanamide
CID 60837665
N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide
CID 133389417
2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 7535590
2-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4806528
N-(4-chloro-2-nitrophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898566
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 3-bromobenzoate
CID 4303041

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-(4-chloro-2-nitrophenyl)acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-(4-chloro-2-nitrophenyl)acetamide (CID 7492495) is 2-(4-bromoanilino)-N-(4-chloro-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-(4-chloro-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-(4-chloro-2-nitrophenyl)acetamide is O=C(CNc1ccc(Br)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-bromoanilino)-N-(4-chloro-2-nitrophenyl)acetamide?
The InChIKey is SUCJCDITFLJQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3O3/c15-9-1-4-11(5-2-9)17-8-14(20)18-12-6-3-10(16)7-13(12)19(21)22/h1-7,17H,8H2,(H,18,20).
What are the key properties of 2-(4-bromoanilino)-N-(4-chloro-2-nitrophenyl)acetamide?
2-(4-bromoanilino)-N-(4-chloro-2-nitrophenyl)acetamide has a molecular weight of 384.62 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-(4-chloro-2-nitrophenyl)acetamide is sourced from PubChem (CID 7492495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).