5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide

C20H17ClN2O2 — CID 93157403

IUPAC5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)N[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C20H17ClN2O2/c1-25-18-11-10-15(21)13-16(18)20(24)23-19(14-7-3-2-4-8-14)17-9-5-6-12-22-17/h2-13,19H,1H3,(H,23,24)/t19-/m0/s1
InChIKeyORCIKQULEUBRCJ-IBGZPJMESA-N
MW352.82 g/mol
LogP4.26
Rot. Bonds5

About 5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide

5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide (PubChem CID 93157403) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
PubChem CID93157403
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)N[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C20H17ClN2O2/c1-25-18-11-10-15(21)13-16(18)20(24)23-19(14-7-3-2-4-8-14)17-9-5-6-12-22-17/h2-13,19H,1H3,(H,23,24)/t19-/m0/s1
InChIKeyORCIKQULEUBRCJ-IBGZPJMESA-N
XLogP4.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 44765343
1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-one
CID 66448751
5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
CID 63184777
2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 25386860
2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51885946
3,5-dimethoxy-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 25392445
5-chloro-2-methoxy-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzamide
CID 121176252
2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
CID 16559317
4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide
CID 55414528
2,5-dimethoxy-N-[(S)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 9118748
N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97066368
2-methyl-N-[phenyl(pyridin-2-yl)methyl]furan-3-carboxamide
CID 46554509

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide (CID 93157403) is 5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide is COc1ccc(Cl)cc1C(=O)N[C@@H](c1ccccc1)c1ccccn1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide?
The InChIKey is ORCIKQULEUBRCJ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-25-18-11-10-15(21)13-16(18)20(24)23-19(14-7-3-2-4-8-14)17-9-5-6-12-22-17/h2-13,19H,1H3,(H,23,24)/t19-/m0/s1.
What are the key properties of 5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide?
5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide has a molecular weight of 352.82 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 93157403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).