N-[4-(5-chloro-2-nitroanilino)phenyl]acetamide

C14H12ClN3O3 — CID 71236809

IUPACN-[4-(5-chloro-2-nitroanilino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H12ClN3O3/c1-9(19)16-11-3-5-12(6-4-11)17-13-8-10(15)2-7-14(13)18(20)21/h2-8,17H,1H3,(H,16,19)
InChIKeyYQWGCPLSDSDBIF-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.95
Rot. Bonds4

About N-[4-(5-chloro-2-nitroanilino)phenyl]acetamide

N-[4-(5-chloro-2-nitroanilino)phenyl]acetamide (PubChem CID 71236809) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is N-[4-(5-chloro-2-nitroanilino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-chloro-2-nitroanilino)phenyl]acetamide
PubChem CID71236809
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC NameN-[4-(5-chloro-2-nitroanilino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H12ClN3O3/c1-9(19)16-11-3-5-12(6-4-11)17-13-8-10(15)2-7-14(13)18(20)21/h2-8,17H,1H3,(H,16,19)
InChIKeyYQWGCPLSDSDBIF-UHFFFAOYSA-N
XLogP3.95
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.95
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

4-N-(5-chloro-2-nitrophenyl)benzene-1,4-diamine
CID 21327747
2-[4-(5-chloro-2-nitroanilino)phenyl]ethanol
CID 67099078
N-[4-[2-(4-chloro-2-nitroanilino)ethyl]phenyl]acetamide
CID 133287924
4-(4-acetamidoanilino)-3-nitrobenzenesulfonic acid
CID 23470647
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
N-[4-[5-(4-chlorophenyl)sulfanyl-2-nitro-4-(trifluoromethylsulfonyl)anilino]phenyl]acetamide
CID 5093026
(2E)-2-[(5-chloro-2-nitrophenyl)hydrazinylidene]acetic acid
CID 20788456
N-[4-[2-nitro-4-(trifluoromethyl)anilino]phenyl]acetamide
CID 4657864
N-(4-chlorophenyl)-3-(methylamino)-4-nitrobenzamide
CID 62680843
4-(5-chloro-2-nitroanilino)-3-fluorobenzoic acid
CID 115469376
(2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide
CID 7979689
3-(5-chloro-2-nitroanilino)-2-methyl-3-oxopropanoic acid
CID 114897912

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-2-nitroanilino)phenyl]acetamide?
The IUPAC name of N-[4-(5-chloro-2-nitroanilino)phenyl]acetamide (CID 71236809) is N-[4-(5-chloro-2-nitroanilino)phenyl]acetamide.
What is the SMILES notation for N-[4-(5-chloro-2-nitroanilino)phenyl]acetamide?
The canonical SMILES for N-[4-(5-chloro-2-nitroanilino)phenyl]acetamide is CC(=O)Nc1ccc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[4-(5-chloro-2-nitroanilino)phenyl]acetamide?
The InChIKey is YQWGCPLSDSDBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-9(19)16-11-3-5-12(6-4-11)17-13-8-10(15)2-7-14(13)18(20)21/h2-8,17H,1H3,(H,16,19).
What are the key properties of N-[4-(5-chloro-2-nitroanilino)phenyl]acetamide?
N-[4-(5-chloro-2-nitroanilino)phenyl]acetamide has a molecular weight of 305.72 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-2-nitroanilino)phenyl]acetamide is sourced from PubChem (CID 71236809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).