N-[(3-chlorophenyl)methyl]-3-phenyloxirane-2-carboxamide

C16H14ClNO2 — CID 134349573

IUPACN-[(3-chlorophenyl)methyl]-3-phenyloxirane-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1OC1c1ccccc1
InChIInChI=1S/C16H14ClNO2/c17-13-8-4-5-11(9-13)10-18-16(19)15-14(20-15)12-6-2-1-3-7-12/h1-9,14-15H,10H2,(H,18,19)
InChIKeyRQQZVTKFRKJDSD-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.10
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-3-phenyloxirane-2-carboxamide

N-[(3-chlorophenyl)methyl]-3-phenyloxirane-2-carboxamide (PubChem CID 134349573) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-phenyloxirane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-phenyloxirane-2-carboxamide
PubChem CID134349573
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC NameN-[(3-chlorophenyl)methyl]-3-phenyloxirane-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1OC1c1ccccc1
InChIInChI=1S/C16H14ClNO2/c17-13-8-4-5-11(9-13)10-18-16(19)15-14(20-15)12-6-2-1-3-7-12/h1-9,14-15H,10H2,(H,18,19)
InChIKeyRQQZVTKFRKJDSD-UHFFFAOYSA-N
XLogP3.10
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-methyloxirane-2-carboxamide
CID 134349407
(2R,3R)-3-(3-chlorophenyl)-N-phenyloxirane-2-carboxamide
CID 139078040
(2R,3R)-N-benzyl-3-(4-methoxyphenyl)oxirane-2-carboxamide
CID 135481416
(2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9079755
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2971265
3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea
CID 110301228
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574
4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478442
N-[(3-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27535031

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-phenyloxirane-2-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-phenyloxirane-2-carboxamide (CID 134349573) is N-[(3-chlorophenyl)methyl]-3-phenyloxirane-2-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-phenyloxirane-2-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-phenyloxirane-2-carboxamide is O=C(NCc1cccc(Cl)c1)C1OC1c1ccccc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-phenyloxirane-2-carboxamide?
The InChIKey is RQQZVTKFRKJDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-13-8-4-5-11(9-13)10-18-16(19)15-14(20-15)12-6-2-1-3-7-12/h1-9,14-15H,10H2,(H,18,19).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-phenyloxirane-2-carboxamide?
N-[(3-chlorophenyl)methyl]-3-phenyloxirane-2-carboxamide has a molecular weight of 287.75 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-phenyloxirane-2-carboxamide is sourced from PubChem (CID 134349573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).