4-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide

C14H11ClN2O4 — CID 64793088

IUPAC4-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1O
InChIInChI=1S/C14H11ClN2O4/c1-8-2-4-10(7-13(8)18)16-14(19)11-5-3-9(15)6-12(11)17(20)21/h2-7,18H,1H3,(H,16,19)
InChIKeyCWHGLEQUVLIZCT-UHFFFAOYSA-N
MW306.71 g/mol
LogP3.51
Rot. Bonds3

About 4-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide

4-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide (PubChem CID 64793088) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 4-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide
PubChem CID64793088
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name4-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1O
InChIInChI=1S/C14H11ClN2O4/c1-8-2-4-10(7-13(8)18)16-14(19)11-5-3-9(15)6-12(11)17(20)21/h2-7,18H,1H3,(H,16,19)
InChIKeyCWHGLEQUVLIZCT-UHFFFAOYSA-N
XLogP3.51
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 53.51
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-chloro-N-naphthalen-2-yl-2-nitrobenzamide
CID 896015
4-chloro-2-nitro-N-(2,4,6-trimethylphenyl)benzamide
CID 697216
4-chloro-N-[4-[[4-[(4-chloro-2-nitrobenzoyl)amino]phenyl]methyl]phenyl]-2-nitrobenzamide
CID 4162132
4-chloro-N-(5-chloro-2-hydroxyphenyl)-2-nitrobenzamide
CID 3863304
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-chloro-2-nitrobenzamide
CID 26774161
4-chloro-2-nitro-N-(4-propan-2-yloxyphenyl)benzamide
CID 19173715
4-chloro-2-nitro-N-(3-propan-2-ylphenyl)benzamide
CID 9293301
4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-nitrobenzamide
CID 38327882
4-[(5-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 82877635
N-(4-butylphenyl)-4-chloro-2-nitrobenzamide
CID 3118662
4-chloro-N-[2-(4-methylanilino)phenyl]-2-nitrobenzamide
CID 108745100
N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide
CID 55363553

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide?
The IUPAC name of 4-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide (CID 64793088) is 4-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide?
The canonical SMILES for 4-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide is Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1O.
What is the InChIKey of 4-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide?
The InChIKey is CWHGLEQUVLIZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-8-2-4-10(7-13(8)18)16-14(19)11-5-3-9(15)6-12(11)17(20)21/h2-7,18H,1H3,(H,16,19).
What are the key properties of 4-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide?
4-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide has a molecular weight of 306.71 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide is sourced from PubChem (CID 64793088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).