N-[1-chloro-2-(4-methylphenyl)-2-oxoethyl]formamide

C10H10ClNO2 — CID 130014132

IUPACN-[1-chloro-2-(4-methylphenyl)-2-oxoethyl]formamide
SMILESCc1ccc(C(=O)C(Cl)NC=O)cc1
InChIInChI=1S/C10H10ClNO2/c1-7-2-4-8(5-3-7)9(14)10(11)12-6-13/h2-6,10H,1H3,(H,12,13)
InChIKeyUWTKMFWGGYRUKF-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.49
Rot. Bonds4

About N-[1-chloro-2-(4-methylphenyl)-2-oxoethyl]formamide

N-[1-chloro-2-(4-methylphenyl)-2-oxoethyl]formamide (PubChem CID 130014132) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is N-[1-chloro-2-(4-methylphenyl)-2-oxoethyl]formamide.

Molecular Properties

Compound NameN-[1-chloro-2-(4-methylphenyl)-2-oxoethyl]formamide
PubChem CID130014132
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC NameN-[1-chloro-2-(4-methylphenyl)-2-oxoethyl]formamide
SMILESCc1ccc(C(=O)C(Cl)NC=O)cc1
InChIInChI=1S/C10H10ClNO2/c1-7-2-4-8(5-3-7)9(14)10(11)12-6-13/h2-6,10H,1H3,(H,12,13)
InChIKeyUWTKMFWGGYRUKF-UHFFFAOYSA-N
XLogP1.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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-[1-chloro-2-(4-methylphenyl)-2-oxoethyl]formamide?
The IUPAC name of N-[1-chloro-2-(4-methylphenyl)-2-oxoethyl]formamide (CID 130014132) is N-[1-chloro-2-(4-methylphenyl)-2-oxoethyl]formamide.
What is the SMILES notation for N-[1-chloro-2-(4-methylphenyl)-2-oxoethyl]formamide?
The canonical SMILES for N-[1-chloro-2-(4-methylphenyl)-2-oxoethyl]formamide is Cc1ccc(C(=O)C(Cl)NC=O)cc1.
What is the InChIKey of N-[1-chloro-2-(4-methylphenyl)-2-oxoethyl]formamide?
The InChIKey is UWTKMFWGGYRUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-7-2-4-8(5-3-7)9(14)10(11)12-6-13/h2-6,10H,1H3,(H,12,13).
What are the key properties of N-[1-chloro-2-(4-methylphenyl)-2-oxoethyl]formamide?
N-[1-chloro-2-(4-methylphenyl)-2-oxoethyl]formamide has a molecular weight of 211.65 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-chloro-2-(4-methylphenyl)-2-oxoethyl]formamide is sourced from PubChem (CID 130014132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).