1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone

C15H14ClNO — CID 82095831

IUPAC1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NCc2ccccc2Cl)cc1
InChIInChI=1S/C15H14ClNO/c1-11(18)12-6-8-14(9-7-12)17-10-13-4-2-3-5-15(13)16/h2-9,17H,10H2,1H3
InChIKeyWTTWAHCAVCXTRY-UHFFFAOYSA-N
MW259.74 g/mol
LogP4.15
Rot. Bonds4

About 1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone

1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone (PubChem CID 82095831) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone
PubChem CID82095831
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NCc2ccccc2Cl)cc1
InChIInChI=1S/C15H14ClNO/c1-11(18)12-6-8-14(9-7-12)17-10-13-4-2-3-5-15(13)16/h2-9,17H,10H2,1H3
InChIKeyWTTWAHCAVCXTRY-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(4-acetylphenyl)-1-(2-chlorophenyl)methanesulfonamide
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N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-phenylacetamide
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N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-methoxyacetamide
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N-[(2-chlorophenyl)methyl]-4-iodoaniline
CID 28878735
2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257457
N-(4-acetylphenyl)-4-[[[4-chloro-1-[(2-chlorophenyl)methyl]-2,5-dioxopyrrol-3-yl]amino]methyl]benzamide
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2-(4-acetylphenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 17399319
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone?
The IUPAC name of 1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone (CID 82095831) is 1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone is CC(=O)c1ccc(NCc2ccccc2Cl)cc1.
What is the InChIKey of 1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone?
The InChIKey is WTTWAHCAVCXTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-11(18)12-6-8-14(9-7-12)17-10-13-4-2-3-5-15(13)16/h2-9,17H,10H2,1H3.
What are the key properties of 1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone?
1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone has a molecular weight of 259.74 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone is sourced from PubChem (CID 82095831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).