3-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide

C19H18ClN3O2 — CID 118662989

IUPAC3-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(Cl)c2)c1
InChIInChI=1S/C19H18ClN3O2/c1-12(13-4-3-5-16(8-13)25-2)23-19(24)14-6-7-17(18(20)9-14)15-10-21-22-11-15/h3-12H,1-2H3,(H,21,22)(H,23,24)/t12-/m1/s1
InChIKeyZAMBLNKLSSPUQI-GFCCVEGCSA-N
MW355.83 g/mol
LogP4.23
Rot. Bonds5

About 3-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide

3-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 118662989) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
PubChem CID118662989
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name3-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(Cl)c2)c1
InChIInChI=1S/C19H18ClN3O2/c1-12(13-4-3-5-16(8-13)25-2)23-19(24)14-6-7-17(18(20)9-14)15-10-21-22-11-15/h3-12H,1-2H3,(H,21,22)(H,23,24)/t12-/m1/s1
InChIKeyZAMBLNKLSSPUQI-GFCCVEGCSA-N
XLogP4.23
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide (CID 118662989) is 3-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide is COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is ZAMBLNKLSSPUQI-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12(13-4-3-5-16(8-13)25-2)23-19(24)14-6-7-17(18(20)9-14)15-10-21-22-11-15/h3-12H,1-2H3,(H,21,22)(H,23,24)/t12-/m1/s1.
What are the key properties of 3-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
3-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 355.83 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 118662989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).