2-(5-amino-2-chloroanilino)-5-nitrobenzamide

C13H11ClN4O3 — CID 61014850

IUPAC2-(5-amino-2-chloroanilino)-5-nitrobenzamide
SMILESNC(=O)c1cc([N+](=O)[O-])ccc1Nc1cc(N)ccc1Cl
InChIInChI=1S/C13H11ClN4O3/c14-10-3-1-7(15)5-12(10)17-11-4-2-8(18(20)21)6-9(11)13(16)19/h1-6,17H,15H2,(H2,16,19)
InChIKeyUVCIPPVSIMSXCL-UHFFFAOYSA-N
MW306.71 g/mol
LogP2.67
Rot. Bonds4

About 2-(5-amino-2-chloroanilino)-5-nitrobenzamide

2-(5-amino-2-chloroanilino)-5-nitrobenzamide (PubChem CID 61014850) has the molecular formula C13H11ClN4O3 and a molecular weight of 306.71 g/mol. Its IUPAC name is 2-(5-amino-2-chloroanilino)-5-nitrobenzamide.

Molecular Properties

Compound Name2-(5-amino-2-chloroanilino)-5-nitrobenzamide
PubChem CID61014850
Molecular FormulaC13H11ClN4O3
Molecular Weight306.71 g/mol
Exact Mass306.05
IUPAC Name2-(5-amino-2-chloroanilino)-5-nitrobenzamide
SMILESNC(=O)c1cc([N+](=O)[O-])ccc1Nc1cc(N)ccc1Cl
InChIInChI=1S/C13H11ClN4O3/c14-10-3-1-7(15)5-12(10)17-11-4-2-8(18(20)21)6-9(11)13(16)19/h1-6,17H,15H2,(H2,16,19)
InChIKeyUVCIPPVSIMSXCL-UHFFFAOYSA-N
XLogP2.67
TPSA124.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-2-chloroanilino)-5-nitrobenzoic acid
CID 63537696
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
4-(5-amino-2-chloroanilino)-2-chlorobenzamide
CID 62944720
1-N-(2-chloro-5-fluorophenyl)-4-nitrobenzene-1,2-diamine
CID 107526907
5-amino-2-(2-chloro-4-cyanoanilino)benzamide
CID 107809740
4-chloro-3-N-(5-nitro-1,3-benzoxazol-2-yl)benzene-1,3-diamine
CID 79881200
4-(5-amino-2-chloroanilino)-3-fluorobenzamide
CID 54903363
2-(5-amino-2-chloroanilino)-5-nitropyridine-3-carbonitrile
CID 62099572
N,2-dichloro-4-nitroaniline
CID 57242965
2-(2-carbamoyl-4-nitroanilino)-2-methylpropanoic acid
CID 61264170
N-[2-(4-aminophenyl)sulfanylethyl]-2-chloro-5-nitrobenzamide
CID 139950435
2-[(2-methyl-2-methylsulfanylpropyl)amino]-5-nitrobenzamide
CID 133327327

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chloroanilino)-5-nitrobenzamide?
The IUPAC name of 2-(5-amino-2-chloroanilino)-5-nitrobenzamide (CID 61014850) is 2-(5-amino-2-chloroanilino)-5-nitrobenzamide.
What is the SMILES notation for 2-(5-amino-2-chloroanilino)-5-nitrobenzamide?
The canonical SMILES for 2-(5-amino-2-chloroanilino)-5-nitrobenzamide is NC(=O)c1cc([N+](=O)[O-])ccc1Nc1cc(N)ccc1Cl.
What is the InChIKey of 2-(5-amino-2-chloroanilino)-5-nitrobenzamide?
The InChIKey is UVCIPPVSIMSXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O3/c14-10-3-1-7(15)5-12(10)17-11-4-2-8(18(20)21)6-9(11)13(16)19/h1-6,17H,15H2,(H2,16,19).
What are the key properties of 2-(5-amino-2-chloroanilino)-5-nitrobenzamide?
2-(5-amino-2-chloroanilino)-5-nitrobenzamide has a molecular weight of 306.71 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chloroanilino)-5-nitrobenzamide is sourced from PubChem (CID 61014850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).