2-chloro-N-cyclopropyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide

C15H13ClN2O3S — CID 37484213

IUPAC2-chloro-N-cyclopropyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1cccs1)C1CC1
InChIInChI=1S/C15H13ClN2O3S/c16-14-8-11(18(20)21)5-6-13(14)15(19)17(10-3-4-10)9-12-2-1-7-22-12/h1-2,5-8,10H,3-4,9H2
InChIKeyCNPMBDSEYFVNGP-UHFFFAOYSA-N
MW336.80 g/mol
LogP4.11
Rot. Bonds5

About 2-chloro-N-cyclopropyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide

2-chloro-N-cyclopropyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 37484213) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide
PubChem CID37484213
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC Name2-chloro-N-cyclopropyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1cccs1)C1CC1
InChIInChI=1S/C15H13ClN2O3S/c16-14-8-11(18(20)21)5-6-13(14)15(19)17(10-3-4-10)9-12-2-1-7-22-12/h1-2,5-8,10H,3-4,9H2
InChIKeyCNPMBDSEYFVNGP-UHFFFAOYSA-N
XLogP4.11
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 54.11
H-Bond Donors ≤ 50
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

2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 2566916
N-[(2-chloro-5-nitrophenyl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 61450943
2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 90495692
2-chloro-N-[2-[methyl(thiophen-2-ylmethyl)carbamoyl]phenyl]-4-nitrobenzamide
CID 38741321
methyl 2-[[(2-chloro-4-nitrobenzoyl)-cyclopropylamino]methyl]-1,3-oxazole-4-carboxylate
CID 4319931
N-[(3R)-1,1-dioxothiolan-3-yl]-4-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 7447531
5-chloro-N-cyclopropyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzamide
CID 62242599
N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide
CID 134004531
4-chloro-N-(1,1-dioxothiolan-3-yl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 3366238
2,5-dichloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzamide
CID 71781417
N-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 82795082
N-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645728

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide (CID 37484213) is 2-chloro-N-cyclopropyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide is O=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1cccs1)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is CNPMBDSEYFVNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c16-14-8-11(18(20)21)5-6-13(14)15(19)17(10-3-4-10)9-12-2-1-7-22-12/h1-2,5-8,10H,3-4,9H2.
What are the key properties of 2-chloro-N-cyclopropyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide?
2-chloro-N-cyclopropyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 336.80 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 37484213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).