N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide

C19H15ClN2O — CID 13304853

IUPACN-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
SMILESO=C(c1ccccc1)N(Cc1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C19H15ClN2O/c20-17-11-9-15(10-12-17)14-22(18-8-4-5-13-21-18)19(23)16-6-2-1-3-7-16/h1-13H,14H2
InChIKeyIBLQGJPNOONKBN-UHFFFAOYSA-N
MW322.80 g/mol
LogP4.58
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide

N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide (PubChem CID 13304853) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
PubChem CID13304853
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC NameN-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
SMILESO=C(c1ccccc1)N(Cc1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C19H15ClN2O/c20-17-11-9-15(10-12-17)14-22(18-8-4-5-13-21-18)19(23)16-6-2-1-3-7-16/h1-13H,14H2
InChIKeyIBLQGJPNOONKBN-UHFFFAOYSA-N
XLogP4.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide
CID 748517
4-chloro-N-[(2-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
CID 35577356
4-[(4-chlorophenyl)methoxy]-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylbenzamide
CID 154811127
N-[(4-tert-butylphenyl)methyl]-3,4-dichloro-N-pyridin-2-ylbenzamide
CID 139583072
N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-N-pyridin-2-ylbenzamide
CID 35573441
N-[(4-tert-butylphenyl)methyl]-2,4-dichloro-N-pyridin-2-ylbenzamide
CID 139583068
N-benzyl-3-nitro-N-pyridin-2-ylbenzamide
CID 799327
4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylbenzamide
CID 35573650
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
N-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide
CID 35573662
3-ethoxy-N-[(4-ethylphenyl)methyl]-N-pyridin-2-ylbenzamide
CID 17012477
2-[4-[(N-benzoyl-4-chloroanilino)methyl]phenoxy]acetic acid
CID 127028520

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide (CID 13304853) is N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide is O=C(c1ccccc1)N(Cc1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide?
The InChIKey is IBLQGJPNOONKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O/c20-17-11-9-15(10-12-17)14-22(18-8-4-5-13-21-18)19(23)16-6-2-1-3-7-16/h1-13H,14H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide?
N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide has a molecular weight of 322.80 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 13304853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).