4-chloro-2-nitro-N-(3-propan-2-ylphenyl)benzamide

C16H15ClN2O3 — CID 9293301

IUPAC4-chloro-2-nitro-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1
InChIInChI=1S/C16H15ClN2O3/c1-10(2)11-4-3-5-13(8-11)18-16(20)14-7-6-12(17)9-15(14)19(21)22/h3-10H,1-2H3,(H,18,20)
InChIKeyRZEGTRVXJNMSLW-UHFFFAOYSA-N
MW318.76 g/mol
LogP4.62
Rot. Bonds4

About 4-chloro-2-nitro-N-(3-propan-2-ylphenyl)benzamide

4-chloro-2-nitro-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 9293301) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 4-chloro-2-nitro-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-nitro-N-(3-propan-2-ylphenyl)benzamide
PubChem CID9293301
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name4-chloro-2-nitro-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1
InChIInChI=1S/C16H15ClN2O3/c1-10(2)11-4-3-5-13(8-11)18-16(20)14-7-6-12(17)9-15(14)19(21)22/h3-10H,1-2H3,(H,18,20)
InChIKeyRZEGTRVXJNMSLW-UHFFFAOYSA-N
XLogP4.62
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 54.62
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'}

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Related Compounds

4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide
CID 27162860
4-chloro-N-naphthalen-2-yl-2-nitrobenzamide
CID 896015
4-chloro-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1105898
4-chloro-2-nitro-N-(4-propan-2-yloxyphenyl)benzamide
CID 19173715
4-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide
CID 64793088
4-chloro-2-nitro-N-propan-2-ylbenzamide
CID 789174
4-chloro-N-[3-(1,3-dithiolan-2-yl)phenyl]-2-nitrobenzamide
CID 26379703
propyl 3-[(4-chloro-2-nitrobenzoyl)amino]benzoate
CID 19171818
4-chloro-N-(2,6-diethylphenyl)-2-nitrobenzamide
CID 3319431
4-bromo-3-nitro-N-(3-propan-2-ylphenyl)benzamide
CID 26177953
4-chloro-N-[4-[[4-[(4-chloro-2-nitrobenzoyl)amino]phenyl]methyl]phenyl]-2-nitrobenzamide
CID 4162132
ethyl 2-[3-[(4-chloro-2-nitrobenzoyl)amino]phenoxy]acetate
CID 46401688

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-nitro-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-chloro-2-nitro-N-(3-propan-2-ylphenyl)benzamide (CID 9293301) is 4-chloro-2-nitro-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-chloro-2-nitro-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-chloro-2-nitro-N-(3-propan-2-ylphenyl)benzamide is CC(C)c1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-2-nitro-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is RZEGTRVXJNMSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-10(2)11-4-3-5-13(8-11)18-16(20)14-7-6-12(17)9-15(14)19(21)22/h3-10H,1-2H3,(H,18,20).
What are the key properties of 4-chloro-2-nitro-N-(3-propan-2-ylphenyl)benzamide?
4-chloro-2-nitro-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 318.76 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-nitro-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 9293301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).