N-(3-acetylphenyl)-3-(chloromethyl)benzamide

C16H14ClNO2 — CID 43346840

IUPACN-(3-acetylphenyl)-3-(chloromethyl)benzamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(CCl)c2)c1
InChIInChI=1S/C16H14ClNO2/c1-11(19)13-5-3-7-15(9-13)18-16(20)14-6-2-4-12(8-14)10-17/h2-9H,10H2,1H3,(H,18,20)
InChIKeyBUGNCJZADOCPQT-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.88
Rot. Bonds4

About N-(3-acetylphenyl)-3-(chloromethyl)benzamide

N-(3-acetylphenyl)-3-(chloromethyl)benzamide (PubChem CID 43346840) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(chloromethyl)benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(chloromethyl)benzamide
PubChem CID43346840
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC NameN-(3-acetylphenyl)-3-(chloromethyl)benzamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(CCl)c2)c1
InChIInChI=1S/C16H14ClNO2/c1-11(19)13-5-3-7-15(9-13)18-16(20)14-6-2-4-12(8-14)10-17/h2-9H,10H2,1H3,(H,18,20)
InChIKeyBUGNCJZADOCPQT-UHFFFAOYSA-N
XLogP3.88
TPSA46.17 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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[3-(chloromethyl)benzoyl]amino]benzoate
CID 43346811
3-(chloromethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 43697953
3-(chloromethyl)-N-(4-hydroxyphenyl)benzamide
CID 43477757
N-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide
CID 107573025
3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide
CID 114293273
4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide
CID 113397345
3-(chloromethyl)-N-(3,4-dicyanophenyl)benzamide
CID 107788654
N-(4-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide
CID 107619419
N-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide
CID 114293187
3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055307
4-bromo-N-[3-(chloromethyl)phenyl]benzamide
CID 113270932
N-[3-(chloromethyl)phenyl]-4-(dimethylamino)benzamide
CID 114293242

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(chloromethyl)benzamide?
The IUPAC name of N-(3-acetylphenyl)-3-(chloromethyl)benzamide (CID 43346840) is N-(3-acetylphenyl)-3-(chloromethyl)benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(chloromethyl)benzamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(chloromethyl)benzamide is CC(=O)c1cccc(NC(=O)c2cccc(CCl)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(chloromethyl)benzamide?
The InChIKey is BUGNCJZADOCPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-11(19)13-5-3-7-15(9-13)18-16(20)14-6-2-4-12(8-14)10-17/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of N-(3-acetylphenyl)-3-(chloromethyl)benzamide?
N-(3-acetylphenyl)-3-(chloromethyl)benzamide has a molecular weight of 287.75 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(chloromethyl)benzamide is sourced from PubChem (CID 43346840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).