N-[(2-benzylphenyl)methyl]-2,3-dichlorobenzamide

C21H17Cl2NO — CID 23019985

IUPACN-[(2-benzylphenyl)methyl]-2,3-dichlorobenzamide
SMILESO=C(NCc1ccccc1Cc1ccccc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C21H17Cl2NO/c22-19-12-6-11-18(20(19)23)21(25)24-14-17-10-5-4-9-16(17)13-15-7-2-1-3-8-15/h1-12H,13-14H2,(H,24,25)
InChIKeyBXUXRLDKTCEQQO-UHFFFAOYSA-N
MW370.28 g/mol
LogP5.51
Rot. Bonds5

About N-[(2-benzylphenyl)methyl]-2,3-dichlorobenzamide

N-[(2-benzylphenyl)methyl]-2,3-dichlorobenzamide (PubChem CID 23019985) has the molecular formula C21H17Cl2NO and a molecular weight of 370.28 g/mol. Its IUPAC name is N-[(2-benzylphenyl)methyl]-2,3-dichlorobenzamide.

Molecular Properties

Compound NameN-[(2-benzylphenyl)methyl]-2,3-dichlorobenzamide
PubChem CID23019985
Molecular FormulaC21H17Cl2NO
Molecular Weight370.28 g/mol
Exact Mass369.07
IUPAC NameN-[(2-benzylphenyl)methyl]-2,3-dichlorobenzamide
SMILESO=C(NCc1ccccc1Cc1ccccc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C21H17Cl2NO/c22-19-12-6-11-18(20(19)23)21(25)24-14-17-10-5-4-9-16(17)13-15-7-2-1-3-8-15/h1-12H,13-14H2,(H,24,25)
InChIKeyBXUXRLDKTCEQQO-UHFFFAOYSA-N
XLogP5.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.28
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide
CID 17071308
N-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide
CID 103110309
2,3-dichloro-N-[(2-chloro-6-phenylmethoxyphenyl)methyl]benzamide
CID 23019865
2,3-dichloro-N-[(5-methyl-2-phenylmethoxyphenyl)methyl]benzamide
CID 23019842
N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide
CID 60893162
2,3-dichloro-N-[(2,5-dimethylphenyl)methyl]benzamide
CID 23019861
bis(3-benzyl-2-chlorophenyl)methanone
CID 141224767
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
3-chloro-2-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115703996
N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-3-fluorobenzamide
CID 81461744
2,3-dichloro-N-ethylbenzamide;methane
CID 158305709

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzylphenyl)methyl]-2,3-dichlorobenzamide?
The IUPAC name of N-[(2-benzylphenyl)methyl]-2,3-dichlorobenzamide (CID 23019985) is N-[(2-benzylphenyl)methyl]-2,3-dichlorobenzamide.
What is the SMILES notation for N-[(2-benzylphenyl)methyl]-2,3-dichlorobenzamide?
The canonical SMILES for N-[(2-benzylphenyl)methyl]-2,3-dichlorobenzamide is O=C(NCc1ccccc1Cc1ccccc1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(2-benzylphenyl)methyl]-2,3-dichlorobenzamide?
The InChIKey is BXUXRLDKTCEQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO/c22-19-12-6-11-18(20(19)23)21(25)24-14-17-10-5-4-9-16(17)13-15-7-2-1-3-8-15/h1-12H,13-14H2,(H,24,25).
What are the key properties of N-[(2-benzylphenyl)methyl]-2,3-dichlorobenzamide?
N-[(2-benzylphenyl)methyl]-2,3-dichlorobenzamide has a molecular weight of 370.28 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzylphenyl)methyl]-2,3-dichlorobenzamide is sourced from PubChem (CID 23019985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).