4-chloro-N-(cyanomethyl)-N-cyclopentyl-2-methylbenzamide

C15H17ClN2O — CID 103780332

IUPAC4-chloro-N-(cyanomethyl)-N-cyclopentyl-2-methylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)N(CC#N)C1CCCC1
InChIInChI=1S/C15H17ClN2O/c1-11-10-12(16)6-7-14(11)15(19)18(9-8-17)13-4-2-3-5-13/h6-7,10,13H,2-5,9H2,1H3
InChIKeyDPQSAMVGXNQFLV-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.56
Rot. Bonds3

About 4-chloro-N-(cyanomethyl)-N-cyclopentyl-2-methylbenzamide

4-chloro-N-(cyanomethyl)-N-cyclopentyl-2-methylbenzamide (PubChem CID 103780332) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-chloro-N-(cyanomethyl)-N-cyclopentyl-2-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(cyanomethyl)-N-cyclopentyl-2-methylbenzamide
PubChem CID103780332
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-chloro-N-(cyanomethyl)-N-cyclopentyl-2-methylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)N(CC#N)C1CCCC1
InChIInChI=1S/C15H17ClN2O/c1-11-10-12(16)6-7-14(11)15(19)18(9-8-17)13-4-2-3-5-13/h6-7,10,13H,2-5,9H2,1H3
InChIKeyDPQSAMVGXNQFLV-UHFFFAOYSA-N
XLogP3.56
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(cyanomethyl)-N-cyclohexylbenzamide
CID 94699877
methyl 2-[(4-chloro-2-methylbenzoyl)-cyclopentylamino]acetate
CID 103782927
N-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
CID 82814308
4-chloro-N-(cyanomethyl)-N-cyclopentyl-2,5-difluorobenzamide
CID 82771438
3-bromo-N-(cyanomethyl)-N-cyclopentyl-4-fluorobenzamide
CID 103707598
4-bromo-N-(cyanomethyl)-N-cyclopentyl-2-methoxybenzamide
CID 78997563
N-cyclopentyl-N-ethyl-4-hydroxy-2-methylbenzamide
CID 113341129
N-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide
CID 107670547
2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide
CID 106852142
N-(cyanomethyl)-N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337544
2-amino-5-chloro-N-cyclopentyl-N-ethylbenzamide
CID 43540646
4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide
CID 63391333

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyanomethyl)-N-cyclopentyl-2-methylbenzamide?
The IUPAC name of 4-chloro-N-(cyanomethyl)-N-cyclopentyl-2-methylbenzamide (CID 103780332) is 4-chloro-N-(cyanomethyl)-N-cyclopentyl-2-methylbenzamide.
What is the SMILES notation for 4-chloro-N-(cyanomethyl)-N-cyclopentyl-2-methylbenzamide?
The canonical SMILES for 4-chloro-N-(cyanomethyl)-N-cyclopentyl-2-methylbenzamide is Cc1cc(Cl)ccc1C(=O)N(CC#N)C1CCCC1.
What is the InChIKey of 4-chloro-N-(cyanomethyl)-N-cyclopentyl-2-methylbenzamide?
The InChIKey is DPQSAMVGXNQFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-11-10-12(16)6-7-14(11)15(19)18(9-8-17)13-4-2-3-5-13/h6-7,10,13H,2-5,9H2,1H3.
What are the key properties of 4-chloro-N-(cyanomethyl)-N-cyclopentyl-2-methylbenzamide?
4-chloro-N-(cyanomethyl)-N-cyclopentyl-2-methylbenzamide has a molecular weight of 276.77 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyanomethyl)-N-cyclopentyl-2-methylbenzamide is sourced from PubChem (CID 103780332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).