1-[4-[(3,5-dichloroanilino)methyl]phenyl]ethanone

C15H13Cl2NO — CID 139706215

IUPAC1-[4-[(3,5-dichloroanilino)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CNc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H13Cl2NO/c1-10(19)12-4-2-11(3-5-12)9-18-15-7-13(16)6-14(17)8-15/h2-8,18H,9H2,1H3
InChIKeySXBHJVFAIAZXHL-UHFFFAOYSA-N
MW294.18 g/mol
LogP4.81
Rot. Bonds4

About 1-[4-[(3,5-dichloroanilino)methyl]phenyl]ethanone

1-[4-[(3,5-dichloroanilino)methyl]phenyl]ethanone (PubChem CID 139706215) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is 1-[4-[(3,5-dichloroanilino)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(3,5-dichloroanilino)methyl]phenyl]ethanone
PubChem CID139706215
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name1-[4-[(3,5-dichloroanilino)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CNc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H13Cl2NO/c1-10(19)12-4-2-11(3-5-12)9-18-15-7-13(16)6-14(17)8-15/h2-8,18H,9H2,1H3
InChIKeySXBHJVFAIAZXHL-UHFFFAOYSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylphenyl)-3-(3,5-dichloroanilino)propanamide
CID 109041022
3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline
CID 23994439
1-[3-chloro-5-(ethylamino)phenyl]ethanone
CID 82535671
3,5-dichloro-N-[(4-nitrophenyl)methyl]aniline
CID 29271564
3,5-dichloro-N-[[4-(2-methoxyethoxy)phenyl]methyl]aniline
CID 54796924
3-[(3,5-dichloroanilino)methyl]benzamide
CID 28576195
3,5-dichloro-N-(pyridin-4-ylmethyl)aniline
CID 964331
1-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]ethanone
CID 115576828
4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 5013211
1-[4-[(4-ethoxyanilino)methyl]phenyl]ethanone;sulfuryl dichloride
CID 175521393
3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 103773172
N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109190131

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,5-dichloroanilino)methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(3,5-dichloroanilino)methyl]phenyl]ethanone (CID 139706215) is 1-[4-[(3,5-dichloroanilino)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(3,5-dichloroanilino)methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(3,5-dichloroanilino)methyl]phenyl]ethanone is CC(=O)c1ccc(CNc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 1-[4-[(3,5-dichloroanilino)methyl]phenyl]ethanone?
The InChIKey is SXBHJVFAIAZXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c1-10(19)12-4-2-11(3-5-12)9-18-15-7-13(16)6-14(17)8-15/h2-8,18H,9H2,1H3.
What are the key properties of 1-[4-[(3,5-dichloroanilino)methyl]phenyl]ethanone?
1-[4-[(3,5-dichloroanilino)methyl]phenyl]ethanone has a molecular weight of 294.18 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,5-dichloroanilino)methyl]phenyl]ethanone is sourced from PubChem (CID 139706215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).