3-chloro-N-cyclopropyl-4-hydroxy-N-(pyridin-4-ylmethyl)benzamide

C16H15ClN2O2 — CID 118740684

IUPAC3-chloro-N-cyclopropyl-4-hydroxy-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(c1ccc(O)c(Cl)c1)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C16H15ClN2O2/c17-14-9-12(1-4-15(14)20)16(21)19(13-2-3-13)10-11-5-7-18-8-6-11/h1,4-9,13,20H,2-3,10H2
InChIKeySUPIZVVPGHSZLI-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.25
Rot. Bonds4

About 3-chloro-N-cyclopropyl-4-hydroxy-N-(pyridin-4-ylmethyl)benzamide

3-chloro-N-cyclopropyl-4-hydroxy-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 118740684) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-4-hydroxy-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-4-hydroxy-N-(pyridin-4-ylmethyl)benzamide
PubChem CID118740684
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name3-chloro-N-cyclopropyl-4-hydroxy-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(c1ccc(O)c(Cl)c1)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C16H15ClN2O2/c17-14-9-12(1-4-15(14)20)16(21)19(13-2-3-13)10-11-5-7-18-8-6-11/h1,4-9,13,20H,2-3,10H2
InChIKeySUPIZVVPGHSZLI-UHFFFAOYSA-N
XLogP3.25
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-Dichloro-4-hydroxyphenyl)-pyrrolo[3,2-c]pyridin-1-ylmethanone
CID 166063502
US20230286923, Example 30
CID 162685823
2-Chloro-4-{2-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-oxoethyl}phenol
CID 70721628
2-(3-chloro-4-hydroxy-phenyl)-N-[2-(2-pyridyl)ethyl]acetamide
CID 122178856
(E)-3-(3-chloro-5-fluoro-4-hydroxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 127048965
(2S)-1-(3-chloro-4-pyridin-4-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 118653778
3-chloro-4-methoxy-N-(3-pyridinylmethyl)benzamide
CID 4333262
2-(3-chloro-4-hydroxyphenyl)-1-[(2R)-2-pyridin-3-ylmorpholin-4-yl]ethanone
CID 100066478
N-[(3,5-dichlorophenyl)methyl]-4-hydroxy-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide
CID 168853669
N-[(3,5-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853691
N-[(2,4-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853742
(4S)-5-(3-chloro-4-hydroxyphenyl)-4-(dimethylamino)-2-[pyridin-4-yl-[1-(trifluoromethyl)cyclopropyl]methyl]pentanamide
CID 171054451

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-4-hydroxy-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-chloro-N-cyclopropyl-4-hydroxy-N-(pyridin-4-ylmethyl)benzamide (CID 118740684) is 3-chloro-N-cyclopropyl-4-hydroxy-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-4-hydroxy-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-4-hydroxy-N-(pyridin-4-ylmethyl)benzamide is O=C(c1ccc(O)c(Cl)c1)N(Cc1ccncc1)C1CC1.
What is the InChIKey of 3-chloro-N-cyclopropyl-4-hydroxy-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is SUPIZVVPGHSZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-14-9-12(1-4-15(14)20)16(21)19(13-2-3-13)10-11-5-7-18-8-6-11/h1,4-9,13,20H,2-3,10H2.
What are the key properties of 3-chloro-N-cyclopropyl-4-hydroxy-N-(pyridin-4-ylmethyl)benzamide?
3-chloro-N-cyclopropyl-4-hydroxy-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 302.76 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-4-hydroxy-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 118740684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).