4-[(2-chlorophenyl)methylamino]-N-(1-cyclopropylethyl)-3-nitrobenzamide

C19H20ClN3O3 — CID 55385214

IUPAC4-[(2-chlorophenyl)methylamino]-N-(1-cyclopropylethyl)-3-nitrobenzamide
SMILESCC(NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1
InChIInChI=1S/C19H20ClN3O3/c1-12(13-6-7-13)22-19(24)14-8-9-17(18(10-14)23(25)26)21-11-15-4-2-3-5-16(15)20/h2-5,8-10,12-13,21H,6-7,11H2,1H3,(H,22,24)
InChIKeyCIOSKPLIRIDZAL-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.39
Rot. Bonds7

About 4-[(2-chlorophenyl)methylamino]-N-(1-cyclopropylethyl)-3-nitrobenzamide

4-[(2-chlorophenyl)methylamino]-N-(1-cyclopropylethyl)-3-nitrobenzamide (PubChem CID 55385214) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylamino]-N-(1-cyclopropylethyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylamino]-N-(1-cyclopropylethyl)-3-nitrobenzamide
PubChem CID55385214
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name4-[(2-chlorophenyl)methylamino]-N-(1-cyclopropylethyl)-3-nitrobenzamide
SMILESCC(NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1
InChIInChI=1S/C19H20ClN3O3/c1-12(13-6-7-13)22-19(24)14-8-9-17(18(10-14)23(25)26)21-11-15-4-2-3-5-16(15)20/h2-5,8-10,12-13,21H,6-7,11H2,1H3,(H,22,24)
InChIKeyCIOSKPLIRIDZAL-UHFFFAOYSA-N
XLogP4.39
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.39
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-[(2-chlorophenyl)methylamino]-N-(4-methylphenyl)-3-nitrobenzamide
CID 4676214
4-[(2-chlorophenyl)methylamino]-3-nitrobenzoate
CID 7062960
4-[(2-chlorophenyl)methylamino]-N-(3-methoxyphenyl)-3-nitrobenzamide
CID 23857410
1-[4-[(2-chlorophenyl)methylamino]-3-nitrobenzoyl]-N-methylpiperidine-4-carboxamide
CID 55469029
N-(1-aminopropan-2-yl)-4-[(2-chlorophenyl)methylamino]-N-methyl-3-nitrobenzamide;hydrochloride
CID 119583080
4-[(2-chlorophenyl)methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
CID 26881272
[2-(aminomethyl)pyrrolidin-1-yl]-[4-[(2-chlorophenyl)methylamino]-3-nitrophenyl]methanone
CID 119632608
4-[(2-chlorophenyl)methylamino]-N'-[2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide
CID 55342062
N'-[4-[(2-chlorophenyl)methylamino]-3-nitrobenzoyl]pyridine-3-carbohydrazide
CID 35150034
3-chloro-N-(1-cyclopentylethyl)-4-nitrobenzamide
CID 82780449
4-[(2-chlorophenyl)methylamino]-3-nitro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55369215
4-[(2-chlorophenyl)methylamino]-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-nitrobenzamide
CID 56577359

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylamino]-N-(1-cyclopropylethyl)-3-nitrobenzamide?
The IUPAC name of 4-[(2-chlorophenyl)methylamino]-N-(1-cyclopropylethyl)-3-nitrobenzamide (CID 55385214) is 4-[(2-chlorophenyl)methylamino]-N-(1-cyclopropylethyl)-3-nitrobenzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methylamino]-N-(1-cyclopropylethyl)-3-nitrobenzamide?
The canonical SMILES for 4-[(2-chlorophenyl)methylamino]-N-(1-cyclopropylethyl)-3-nitrobenzamide is CC(NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1.
What is the InChIKey of 4-[(2-chlorophenyl)methylamino]-N-(1-cyclopropylethyl)-3-nitrobenzamide?
The InChIKey is CIOSKPLIRIDZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-12(13-6-7-13)22-19(24)14-8-9-17(18(10-14)23(25)26)21-11-15-4-2-3-5-16(15)20/h2-5,8-10,12-13,21H,6-7,11H2,1H3,(H,22,24).
What are the key properties of 4-[(2-chlorophenyl)methylamino]-N-(1-cyclopropylethyl)-3-nitrobenzamide?
4-[(2-chlorophenyl)methylamino]-N-(1-cyclopropylethyl)-3-nitrobenzamide has a molecular weight of 373.84 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methylamino]-N-(1-cyclopropylethyl)-3-nitrobenzamide is sourced from PubChem (CID 55385214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).