2-chloro-4-[(2-phenylmethoxyacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide

C22H20ClN3O3 — CID 112833812

IUPAC2-chloro-4-[(2-phenylmethoxyacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(COCc1ccccc1)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1
InChIInChI=1S/C22H20ClN3O3/c23-20-12-17(26-21(27)15-29-14-16-6-2-1-3-7-16)9-10-19(20)22(28)25-13-18-8-4-5-11-24-18/h1-12H,13-15H2,(H,25,28)(H,26,27)
InChIKeyPDJOFWFBASZIRA-UHFFFAOYSA-N
MW409.87 g/mol
LogP3.82
Rot. Bonds8

About 2-chloro-4-[(2-phenylmethoxyacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide

2-chloro-4-[(2-phenylmethoxyacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 112833812) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is 2-chloro-4-[(2-phenylmethoxyacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-[(2-phenylmethoxyacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID112833812
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC Name2-chloro-4-[(2-phenylmethoxyacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(COCc1ccccc1)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1
InChIInChI=1S/C22H20ClN3O3/c23-20-12-17(26-21(27)15-29-14-16-6-2-1-3-7-16)9-10-19(20)22(28)25-13-18-8-4-5-11-24-18/h1-12H,13-15H2,(H,25,28)(H,26,27)
InChIKeyPDJOFWFBASZIRA-UHFFFAOYSA-N
XLogP3.82
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[(3-cyanobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 87001678
N-[3-chloro-4-(pyridin-2-ylmethylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 78886067
2-chloro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61191580
2-chloro-4-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 47042298
2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55783783
1-(3,4-dichlorophenyl)-3-(pyridin-2-ylmethyl)thiourea
CID 886442
N-phenyl-2-phenylmethoxyacetamide
CID 15220156
4-N-(3-chloro-4-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047587
2-phenylmethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122316019
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
2-chloro-4-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 47050942
2-chloro-4-[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 52504403

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-phenylmethoxyacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-4-[(2-phenylmethoxyacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide (CID 112833812) is 2-chloro-4-[(2-phenylmethoxyacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-4-[(2-phenylmethoxyacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-4-[(2-phenylmethoxyacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide is O=C(COCc1ccccc1)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[(2-phenylmethoxyacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is PDJOFWFBASZIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c23-20-12-17(26-21(27)15-29-14-16-6-2-1-3-7-16)9-10-19(20)22(28)25-13-18-8-4-5-11-24-18/h1-12H,13-15H2,(H,25,28)(H,26,27).
What are the key properties of 2-chloro-4-[(2-phenylmethoxyacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide?
2-chloro-4-[(2-phenylmethoxyacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 409.87 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-phenylmethoxyacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 112833812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).