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

C21H19ClN2O2 — CID 35576771

IUPACN-[(2-chlorophenyl)methyl]-2-ethoxy-N-pyridin-2-ylbenzamide
SMILESCCOc1ccccc1C(=O)N(Cc1ccccc1Cl)c1ccccn1
InChIInChI=1S/C21H19ClN2O2/c1-2-26-19-12-6-4-10-17(19)21(25)24(20-13-7-8-14-23-20)15-16-9-3-5-11-18(16)22/h3-14H,2,15H2,1H3
InChIKeyGFKSMJLTLIJMMY-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.98
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-2-ethoxy-N-pyridin-2-ylbenzamide (PubChem CID 35576771) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-ethoxy-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-ethoxy-N-pyridin-2-ylbenzamide
PubChem CID35576771
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2-ethoxy-N-pyridin-2-ylbenzamide
SMILESCCOc1ccccc1C(=O)N(Cc1ccccc1Cl)c1ccccn1
InChIInChI=1S/C21H19ClN2O2/c1-2-26-19-12-6-4-10-17(19)21(25)24(20-13-7-8-14-23-20)15-16-9-3-5-11-18(16)22/h3-14H,2,15H2,1H3
InChIKeyGFKSMJLTLIJMMY-UHFFFAOYSA-N
XLogP4.98
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide
CID 17014006
4-chloro-N-[(2-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
CID 35577356
2-[(2-chlorophenyl)methoxy]-N,N-diethylbenzamide
CID 13073609
N-[(2-chlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-ethoxybenzamide
CID 7741244
N-(2-chlorophenyl)-2-ethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 35341413
N-(6-amino-2-pyridinyl)-2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]benzamide
CID 69154073
1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-one
CID 29287743
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60628317
(2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7951719
4-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81230248
2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 67166325
2-[[(2-chlorophenyl)methyl-ethylamino]methyl]pyridine-3-carboxylic acid
CID 136574744

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-ethoxy-N-pyridin-2-ylbenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-ethoxy-N-pyridin-2-ylbenzamide (CID 35576771) is N-[(2-chlorophenyl)methyl]-2-ethoxy-N-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-ethoxy-N-pyridin-2-ylbenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-ethoxy-N-pyridin-2-ylbenzamide is CCOc1ccccc1C(=O)N(Cc1ccccc1Cl)c1ccccn1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-ethoxy-N-pyridin-2-ylbenzamide?
The InChIKey is GFKSMJLTLIJMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-2-26-19-12-6-4-10-17(19)21(25)24(20-13-7-8-14-23-20)15-16-9-3-5-11-18(16)22/h3-14H,2,15H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-ethoxy-N-pyridin-2-ylbenzamide?
N-[(2-chlorophenyl)methyl]-2-ethoxy-N-pyridin-2-ylbenzamide has a molecular weight of 366.85 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-ethoxy-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 35576771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).