4-chloro-N-(1-methylcyclopropyl)-3-nitrobenzamide

C11H11ClN2O3 — CID 18712030

IUPAC4-chloro-N-(1-methylcyclopropyl)-3-nitrobenzamide
SMILESCC1(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C11H11ClN2O3/c1-11(4-5-11)13-10(15)7-2-3-8(12)9(6-7)14(16)17/h2-3,6H,4-5H2,1H3,(H,13,15)
InChIKeySIMIHFPJRRAKFH-UHFFFAOYSA-N
MW254.67 g/mol
LogP2.53
Rot. Bonds3

About 4-chloro-N-(1-methylcyclopropyl)-3-nitrobenzamide

4-chloro-N-(1-methylcyclopropyl)-3-nitrobenzamide (PubChem CID 18712030) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 4-chloro-N-(1-methylcyclopropyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-(1-methylcyclopropyl)-3-nitrobenzamide
PubChem CID18712030
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name4-chloro-N-(1-methylcyclopropyl)-3-nitrobenzamide
SMILESCC1(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C11H11ClN2O3/c1-11(4-5-11)13-10(15)7-2-3-8(12)9(6-7)14(16)17/h2-3,6H,4-5H2,1H3,(H,13,15)
InChIKeySIMIHFPJRRAKFH-UHFFFAOYSA-N
XLogP2.53
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 52.53
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-N-[(1-methylcyclobutyl)methyl]-3-nitrobenzamide
CID 103738127
4-chloro-N-(1-cyanocyclobutyl)-3-nitrobenzamide
CID 61217403
4-chloro-N-[(1-ethylcyclobutyl)methyl]-3-nitrobenzamide
CID 103741375
4-chloro-3-nitrobenzohydrazide
CID 3704353
4-chloro-N-[3-[(4-chloro-3-nitrobenzoyl)amino]propyl]-3-nitrobenzamide
CID 4981185
4-chloro-N-(1-cyanocyclohexyl)-3-nitrobenzamide
CID 78805852
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
4-chloro-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide
CID 115636083
4-chloro-N-[2-[(4-chloro-3-nitrobenzoyl)amino]cyclohexyl]-3-nitrobenzamide
CID 3385359
3-[(4-chloro-3-nitrobenzoyl)amino]propanoic acid
CID 60657227
4-chloro-N-cyclobutyl-3-nitrobenzamide
CID 62415356
4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide
CID 3381280

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-methylcyclopropyl)-3-nitrobenzamide?
The IUPAC name of 4-chloro-N-(1-methylcyclopropyl)-3-nitrobenzamide (CID 18712030) is 4-chloro-N-(1-methylcyclopropyl)-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-(1-methylcyclopropyl)-3-nitrobenzamide?
The canonical SMILES for 4-chloro-N-(1-methylcyclopropyl)-3-nitrobenzamide is CC1(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1.
What is the InChIKey of 4-chloro-N-(1-methylcyclopropyl)-3-nitrobenzamide?
The InChIKey is SIMIHFPJRRAKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-11(4-5-11)13-10(15)7-2-3-8(12)9(6-7)14(16)17/h2-3,6H,4-5H2,1H3,(H,13,15).
What are the key properties of 4-chloro-N-(1-methylcyclopropyl)-3-nitrobenzamide?
4-chloro-N-(1-methylcyclopropyl)-3-nitrobenzamide has a molecular weight of 254.67 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-methylcyclopropyl)-3-nitrobenzamide is sourced from PubChem (CID 18712030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).