4-chloro-2-nitro-N-(4-propan-2-yloxyphenyl)benzamide

C16H15ClN2O4 — CID 19173715

IUPAC4-chloro-2-nitro-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H15ClN2O4/c1-10(2)23-13-6-4-12(5-7-13)18-16(20)14-8-3-11(17)9-15(14)19(21)22/h3-10H,1-2H3,(H,18,20)
InChIKeyWHUKAHLLUYRXJT-UHFFFAOYSA-N
MW334.76 g/mol
LogP4.29
Rot. Bonds5

About 4-chloro-2-nitro-N-(4-propan-2-yloxyphenyl)benzamide

4-chloro-2-nitro-N-(4-propan-2-yloxyphenyl)benzamide (PubChem CID 19173715) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is 4-chloro-2-nitro-N-(4-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-nitro-N-(4-propan-2-yloxyphenyl)benzamide
PubChem CID19173715
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name4-chloro-2-nitro-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H15ClN2O4/c1-10(2)23-13-6-4-12(5-7-13)18-16(20)14-8-3-11(17)9-15(14)19(21)22/h3-10H,1-2H3,(H,18,20)
InChIKeyWHUKAHLLUYRXJT-UHFFFAOYSA-N
XLogP4.29
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 54.29
H-Bond Donors ≤ 51
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-[4-(difluoromethoxy)phenyl]-2-nitrobenzamide
CID 9405128
4-chloro-N-[4-[[4-[(4-chloro-2-nitrobenzoyl)amino]phenyl]methyl]phenyl]-2-nitrobenzamide
CID 4162132
4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-nitrobenzamide
CID 38327882
4-chloro-2-nitro-N-propan-2-ylbenzamide
CID 789174
4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide
CID 1105902
4-chloro-N-naphthalen-2-yl-2-nitrobenzamide
CID 896015
4-chloro-2-nitro-N-(3-propan-2-ylphenyl)benzamide
CID 9293301
5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide
CID 4605334
4-chloro-N-[4-(cyclopentylmethylamino)phenyl]-2-nitrobenzamide
CID 56533911
4-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide
CID 64793088
N-(4-butylphenyl)-4-chloro-2-nitrobenzamide
CID 3118662
N-(4-chloro-3-nitrophenyl)-4-propan-2-yloxybenzamide
CID 3351520

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-nitro-N-(4-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 4-chloro-2-nitro-N-(4-propan-2-yloxyphenyl)benzamide (CID 19173715) is 4-chloro-2-nitro-N-(4-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 4-chloro-2-nitro-N-(4-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 4-chloro-2-nitro-N-(4-propan-2-yloxyphenyl)benzamide is CC(C)Oc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-chloro-2-nitro-N-(4-propan-2-yloxyphenyl)benzamide?
The InChIKey is WHUKAHLLUYRXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-10(2)23-13-6-4-12(5-7-13)18-16(20)14-8-3-11(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-(4-propan-2-yloxyphenyl)benzamide?
4-chloro-2-nitro-N-(4-propan-2-yloxyphenyl)benzamide has a molecular weight of 334.76 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-nitro-N-(4-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 19173715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).