N-cyclopentyl-N-(4-formyl-3-methylphenyl)carbamoyl chloride

C14H16ClNO2 — CID 54054700

IUPACN-cyclopentyl-N-(4-formyl-3-methylphenyl)carbamoyl chloride
SMILESCc1cc(N(C(=O)Cl)C2CCCC2)ccc1C=O
InChIInChI=1S/C14H16ClNO2/c1-10-8-13(7-6-11(10)9-17)16(14(15)18)12-4-2-3-5-12/h6-9,12H,2-5H2,1H3
InChIKeyLVKQUQGULYUTNL-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.92
Rot. Bonds3

About N-cyclopentyl-N-(4-formyl-3-methylphenyl)carbamoyl chloride

N-cyclopentyl-N-(4-formyl-3-methylphenyl)carbamoyl chloride (PubChem CID 54054700) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is N-cyclopentyl-N-(4-formyl-3-methylphenyl)carbamoyl chloride.

Molecular Properties

Compound NameN-cyclopentyl-N-(4-formyl-3-methylphenyl)carbamoyl chloride
PubChem CID54054700
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC NameN-cyclopentyl-N-(4-formyl-3-methylphenyl)carbamoyl chloride
SMILESCc1cc(N(C(=O)Cl)C2CCCC2)ccc1C=O
InChIInChI=1S/C14H16ClNO2/c1-10-8-13(7-6-11(10)9-17)16(14(15)18)12-4-2-3-5-12/h6-9,12H,2-5H2,1H3
InChIKeyLVKQUQGULYUTNL-UHFFFAOYSA-N
XLogP3.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(4-formyl-3-methylphenyl)carbamoyl chloride?
The IUPAC name of N-cyclopentyl-N-(4-formyl-3-methylphenyl)carbamoyl chloride (CID 54054700) is N-cyclopentyl-N-(4-formyl-3-methylphenyl)carbamoyl chloride.
What is the SMILES notation for N-cyclopentyl-N-(4-formyl-3-methylphenyl)carbamoyl chloride?
The canonical SMILES for N-cyclopentyl-N-(4-formyl-3-methylphenyl)carbamoyl chloride is Cc1cc(N(C(=O)Cl)C2CCCC2)ccc1C=O.
What is the InChIKey of N-cyclopentyl-N-(4-formyl-3-methylphenyl)carbamoyl chloride?
The InChIKey is LVKQUQGULYUTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-10-8-13(7-6-11(10)9-17)16(14(15)18)12-4-2-3-5-12/h6-9,12H,2-5H2,1H3.
What are the key properties of N-cyclopentyl-N-(4-formyl-3-methylphenyl)carbamoyl chloride?
N-cyclopentyl-N-(4-formyl-3-methylphenyl)carbamoyl chloride has a molecular weight of 265.74 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(4-formyl-3-methylphenyl)carbamoyl chloride is sourced from PubChem (CID 54054700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).