4-chloro-N-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]benzamide

C22H21ClN2O2 — CID 56661987

IUPAC4-chloro-N-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]benzamide
SMILESCC(C)Oc1ccc(C(NC(=O)c2ccc(Cl)cc2)c2cccnc2)cc1
InChIInChI=1S/C22H21ClN2O2/c1-15(2)27-20-11-7-16(8-12-20)21(18-4-3-13-24-14-18)25-22(26)17-5-9-19(23)10-6-17/h3-15,21H,1-2H3,(H,25,26)
InChIKeyBWTQXHZSXFKPBW-UHFFFAOYSA-N
MW380.88 g/mol
LogP5.04
Rot. Bonds6

About 4-chloro-N-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]benzamide

4-chloro-N-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]benzamide (PubChem CID 56661987) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 4-chloro-N-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]benzamide
PubChem CID56661987
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC Name4-chloro-N-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]benzamide
SMILESCC(C)Oc1ccc(C(NC(=O)c2ccc(Cl)cc2)c2cccnc2)cc1
InChIInChI=1S/C22H21ClN2O2/c1-15(2)27-20-11-7-16(8-12-20)21(18-4-3-13-24-14-18)25-22(26)17-5-9-19(23)10-6-17/h3-15,21H,1-2H3,(H,25,26)
InChIKeyBWTQXHZSXFKPBW-UHFFFAOYSA-N
XLogP5.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500203
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
4-chloro-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]benzamide
CID 95740893
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide
CID 20897097
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]furan-2-carboxamide
CID 20897090
3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 3927464
N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 51589038
N-[(S)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 51589039
3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate
CID 5058619
3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500173
N-(5-chloro-2-pyridinyl)-4-propan-2-yloxybenzamide
CID 33327699

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]benzamide?
The IUPAC name of 4-chloro-N-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]benzamide (CID 56661987) is 4-chloro-N-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]benzamide?
The canonical SMILES for 4-chloro-N-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]benzamide is CC(C)Oc1ccc(C(NC(=O)c2ccc(Cl)cc2)c2cccnc2)cc1.
What is the InChIKey of 4-chloro-N-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]benzamide?
The InChIKey is BWTQXHZSXFKPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c1-15(2)27-20-11-7-16(8-12-20)21(18-4-3-13-24-14-18)25-22(26)17-5-9-19(23)10-6-17/h3-15,21H,1-2H3,(H,25,26).
What are the key properties of 4-chloro-N-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]benzamide?
4-chloro-N-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]benzamide has a molecular weight of 380.88 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]benzamide is sourced from PubChem (CID 56661987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).