2-chloro-4-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]benzamide

C18H15ClN4O2 — CID 39170149

IUPAC2-chloro-4-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)cc1Cl
InChIInChI=1S/C18H15ClN4O2/c19-16-10-14(6-7-15(16)17(20)24)22-18(25)13-4-2-12(3-5-13)11-23-9-1-8-21-23/h1-10H,11H2,(H2,20,24)(H,22,25)
InChIKeyRORUSFOAGIXAHX-UHFFFAOYSA-N
MW354.80 g/mol
LogP2.94
Rot. Bonds5

About 2-chloro-4-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]benzamide

2-chloro-4-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]benzamide (PubChem CID 39170149) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 2-chloro-4-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]benzamide
PubChem CID39170149
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name2-chloro-4-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)cc1Cl
InChIInChI=1S/C18H15ClN4O2/c19-16-10-14(6-7-15(16)17(20)24)22-18(25)13-4-2-12(3-5-13)11-23-9-1-8-21-23/h1-10H,11H2,(H2,20,24)(H,22,25)
InChIKeyRORUSFOAGIXAHX-UHFFFAOYSA-N
XLogP2.94
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 134036419
4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide
CID 175249041
N-(2-methyl-1,3-benzoxazol-6-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 86921797
N-[4-(2-hydroxyethoxy)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 111116122
4-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38209826
N-(4-ethyl-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 170124282
4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55970703
4-(pyrazol-1-ylmethyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 24599697
N-(4-carbamoyl-3-chlorophenyl)-4-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 118781188
N-[4-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60934045
N-(4-chloro-2,5-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 26022355
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 38807472

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]benzamide?
The IUPAC name of 2-chloro-4-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]benzamide (CID 39170149) is 2-chloro-4-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-4-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]benzamide?
The canonical SMILES for 2-chloro-4-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]benzamide is NC(=O)c1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)cc1Cl.
What is the InChIKey of 2-chloro-4-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]benzamide?
The InChIKey is RORUSFOAGIXAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c19-16-10-14(6-7-15(16)17(20)24)22-18(25)13-4-2-12(3-5-13)11-23-9-1-8-21-23/h1-10H,11H2,(H2,20,24)(H,22,25).
What are the key properties of 2-chloro-4-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]benzamide?
2-chloro-4-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]benzamide has a molecular weight of 354.80 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 39170149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).