4-chloro-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]benzamide

C21H19ClN2O — CID 95740893

IUPAC4-chloro-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]benzamide
SMILESCc1ccc(C)c([C@@H](NC(=O)c2ccc(Cl)cc2)c2cccnc2)c1
InChIInChI=1S/C21H19ClN2O/c1-14-5-6-15(2)19(12-14)20(17-4-3-11-23-13-17)24-21(25)16-7-9-18(22)10-8-16/h3-13,20H,1-2H3,(H,24,25)/t20-/m0/s1
InChIKeyPVQVXXBASNEYMZ-FQEVSTJZSA-N
MW350.85 g/mol
LogP4.87
Rot. Bonds4

About 4-chloro-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]benzamide

4-chloro-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]benzamide (PubChem CID 95740893) has the molecular formula C21H19ClN2O and a molecular weight of 350.85 g/mol. Its IUPAC name is 4-chloro-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]benzamide
PubChem CID95740893
Molecular FormulaC21H19ClN2O
Molecular Weight350.85 g/mol
Exact Mass350.12
IUPAC Name4-chloro-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]benzamide
SMILESCc1ccc(C)c([C@@H](NC(=O)c2ccc(Cl)cc2)c2cccnc2)c1
InChIInChI=1S/C21H19ClN2O/c1-14-5-6-15(2)19(12-14)20(17-4-3-11-23-13-17)24-21(25)16-7-9-18(22)10-8-16/h3-13,20H,1-2H3,(H,24,25)/t20-/m0/s1
InChIKeyPVQVXXBASNEYMZ-FQEVSTJZSA-N
XLogP4.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide
CID 92500266
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500269
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 97146146
N-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 72840386
N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 99928409
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
4-chloro-N-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]benzamide
CID 56661987
N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-pyrrolidin-1-ylacetamide
CID 124731636
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide
CID 20897042
4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500203
N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 100628969

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]benzamide?
The IUPAC name of 4-chloro-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]benzamide (CID 95740893) is 4-chloro-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]benzamide?
The canonical SMILES for 4-chloro-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]benzamide is Cc1ccc(C)c([C@@H](NC(=O)c2ccc(Cl)cc2)c2cccnc2)c1.
What is the InChIKey of 4-chloro-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]benzamide?
The InChIKey is PVQVXXBASNEYMZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H19ClN2O/c1-14-5-6-15(2)19(12-14)20(17-4-3-11-23-13-17)24-21(25)16-7-9-18(22)10-8-16/h3-13,20H,1-2H3,(H,24,25)/t20-/m0/s1.
What are the key properties of 4-chloro-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]benzamide?
4-chloro-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]benzamide has a molecular weight of 350.85 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]benzamide is sourced from PubChem (CID 95740893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).