4-acetamido-3-chloro-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide

C19H17ClN4O2 — CID 146096937

IUPAC4-acetamido-3-chloro-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cn(-c3ccccc3)nc2C)cc1Cl
InChIInChI=1S/C19H17ClN4O2/c1-12-18(11-24(23-12)15-6-4-3-5-7-15)22-19(26)14-8-9-17(16(20)10-14)21-13(2)25/h3-11H,1-2H3,(H,21,25)(H,22,26)
InChIKeyBLBUVDAANFCOBY-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.04
Rot. Bonds4

About 4-acetamido-3-chloro-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide

4-acetamido-3-chloro-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide (PubChem CID 146096937) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 4-acetamido-3-chloro-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-acetamido-3-chloro-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide
PubChem CID146096937
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name4-acetamido-3-chloro-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cn(-c3ccccc3)nc2C)cc1Cl
InChIInChI=1S/C19H17ClN4O2/c1-12-18(11-24(23-12)15-6-4-3-5-7-15)22-19(26)14-8-9-17(16(20)10-14)21-13(2)25/h3-11H,1-2H3,(H,21,25)(H,22,26)
InChIKeyBLBUVDAANFCOBY-UHFFFAOYSA-N
XLogP4.04
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-acetamido-3-chlorobenzoyl)amino]-4-carbamoylphenyl]-6-oxo-1-phenylpyridine-3-carboxamide
CID 135392018
2,6-dimethoxy-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide
CID 154837597
N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)acetamide
CID 144831982
3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide
CID 113251749
[3-[(4-acetamidobenzoyl)amino]-1-phenylpyrazol-4-yl]carbamic acid
CID 69052738
N-(4-acetamido-2-chlorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 56580220
4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 102803289
3-chloro-4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide
CID 1333387
3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 11791835
N-(2-chlorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210368
ethyl 4-benzamido-3-chlorobenzoate
CID 28634288
4-acetamido-3-chlorobenzoate
CID 6920708

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-3-chloro-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide?
The IUPAC name of 4-acetamido-3-chloro-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide (CID 146096937) is 4-acetamido-3-chloro-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-acetamido-3-chloro-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-acetamido-3-chloro-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide is CC(=O)Nc1ccc(C(=O)Nc2cn(-c3ccccc3)nc2C)cc1Cl.
What is the InChIKey of 4-acetamido-3-chloro-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide?
The InChIKey is BLBUVDAANFCOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-12-18(11-24(23-12)15-6-4-3-5-7-15)22-19(26)14-8-9-17(16(20)10-14)21-13(2)25/h3-11H,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 4-acetamido-3-chloro-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide?
4-acetamido-3-chloro-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide has a molecular weight of 368.82 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-3-chloro-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide is sourced from PubChem (CID 146096937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).