4-chloro-2-nitro-N-propan-2-ylbenzamide

C10H11ClN2O3 — CID 789174

IUPAC4-chloro-2-nitro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11ClN2O3/c1-6(2)12-10(14)8-4-3-7(11)5-9(8)13(15)16/h3-6H,1-2H3,(H,12,14)
InChIKeyFWPGOKYUKXPASZ-UHFFFAOYSA-N
MW242.66 g/mol
LogP2.39
Rot. Bonds3

About 4-chloro-2-nitro-N-propan-2-ylbenzamide

4-chloro-2-nitro-N-propan-2-ylbenzamide (PubChem CID 789174) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 4-chloro-2-nitro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-2-nitro-N-propan-2-ylbenzamide
PubChem CID789174
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name4-chloro-2-nitro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11ClN2O3/c1-6(2)12-10(14)8-4-3-7(11)5-9(8)13(15)16/h3-6H,1-2H3,(H,12,14)
InChIKeyFWPGOKYUKXPASZ-UHFFFAOYSA-N
XLogP2.39
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 52.39
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

N-butan-2-yl-4-chloro-2-nitrobenzamide
CID 4080070
4-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-nitrobenzamide
CID 9441513
N-(1-bromobutan-2-yl)-4-chloro-2-nitrobenzamide
CID 114307538
N-[(1R)-1-(2-bromophenyl)ethyl]-4-chloro-2-nitrobenzamide
CID 9220064
4-chloro-2-nitro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 1122066
4-chloro-N-(3-methyl-2-oxobutyl)-2-nitrobenzamide
CID 64996640
2-[(4-chloro-2-nitrobenzoyl)amino]butanedioic acid
CID 78910208
4-chloro-2-nitro-N-(4-propan-2-yloxyphenyl)benzamide
CID 19173715
methyl 2-[(4-chloro-2-nitrobenzoyl)amino]-2-methylpropanoate
CID 43074434
4-chloro-N-[2-methyl-3-(methylamino)propyl]-2-nitrobenzamide
CID 81479371
4-chloro-N-[2-(diethylamino)-3-methylbutyl]-2-nitrobenzamide
CID 43074952
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-2-nitrobenzamide
CID 9365928

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-nitro-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-2-nitro-N-propan-2-ylbenzamide (CID 789174) is 4-chloro-2-nitro-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-2-nitro-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-2-nitro-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-2-nitro-N-propan-2-ylbenzamide?
The InChIKey is FWPGOKYUKXPASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c1-6(2)12-10(14)8-4-3-7(11)5-9(8)13(15)16/h3-6H,1-2H3,(H,12,14).
What are the key properties of 4-chloro-2-nitro-N-propan-2-ylbenzamide?
4-chloro-2-nitro-N-propan-2-ylbenzamide has a molecular weight of 242.66 g/mol, XLogP of 2.39, 3 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-propan-2-ylbenzamide is sourced from PubChem (CID 789174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).