N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide

C19H18ClN3O3 — CID 118662928

IUPACN-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(C(=O)NCC(O)c2ccccc2Cl)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H18ClN3O3/c1-26-18-8-12(6-7-14(18)13-9-22-23-10-13)19(25)21-11-17(24)15-4-2-3-5-16(15)20/h2-10,17,24H,11H2,1H3,(H,21,25)(H,22,23)
InChIKeyXZOMFGUPUHMZFT-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.20
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide

N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 118662928) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
PubChem CID118662928
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(C(=O)NCC(O)c2ccccc2Cl)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H18ClN3O3/c1-26-18-8-12(6-7-14(18)13-9-22-23-10-13)19(25)21-11-17(24)15-4-2-3-5-16(15)20/h2-10,17,24H,11H2,1H3,(H,21,25)(H,22,23)
InChIKeyXZOMFGUPUHMZFT-UHFFFAOYSA-N
XLogP3.20
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118663073
N-[(2,6-difluorophenyl)methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662908
N-[(2S,3S)-3,4-dihydroxy-1-phenylbutan-2-yl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662944
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 90354062
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662907
N-[[3-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662965
N-[(1S)-1-(2-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 162656129
N-[(3,4-difluorophenyl)methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 85470509
3-methoxy-N-(1-naphthalen-2-ylethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 90354155
3-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 85469693
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methoxypyridine-3-carboxamide
CID 111451178
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide
CID 111451028

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide (CID 118662928) is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide is COc1cc(C(=O)NCC(O)c2ccccc2Cl)ccc1-c1cn[nH]c1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is XZOMFGUPUHMZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-26-18-8-12(6-7-14(18)13-9-22-23-10-13)19(25)21-11-17(24)15-4-2-3-5-16(15)20/h2-10,17,24H,11H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 371.82 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 118662928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).