N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide

C18H14ClFN4O3 — CID 47063466

IUPACN-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccn[nH]2)cc1NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C18H14ClFN4O3/c1-27-16-5-3-11(22-18(26)14-6-7-21-24-14)9-15(16)23-17(25)12-4-2-10(19)8-13(12)20/h2-9H,1H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyORDBCRNVOAJRHX-UHFFFAOYSA-N
MW388.79 g/mol
LogP3.72
Rot. Bonds5

About N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide

N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide (PubChem CID 47063466) has the molecular formula C18H14ClFN4O3 and a molecular weight of 388.79 g/mol. Its IUPAC name is N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
PubChem CID47063466
Molecular FormulaC18H14ClFN4O3
Molecular Weight388.79 g/mol
Exact Mass388.07
IUPAC NameN-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccn[nH]2)cc1NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C18H14ClFN4O3/c1-27-16-5-3-11(22-18(26)14-6-7-21-24-14)9-15(16)23-17(25)12-4-2-10(19)8-13(12)20/h2-9H,1H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyORDBCRNVOAJRHX-UHFFFAOYSA-N
XLogP3.72
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.79
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide
CID 52701764
N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide
CID 52701788
4-chloro-2-fluoro-N-[2-methoxy-5-[[4-(1,3-oxazol-5-yl)benzoyl]amino]phenyl]benzamide
CID 55889947
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337
4-chloro-2-fluoro-N-[5-(hexanoylamino)-2-methoxyphenyl]benzamide
CID 55890582
N-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide
CID 55945079
4-chloro-N-[5-[[2-(3,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-2-fluorobenzamide
CID 55890330
N-(5-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzamide
CID 79770618
N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide
CID 33307531
2-methoxy-5-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
CID 63084251
4-chloro-2-fluoro-N-[2-methoxy-5-[3-(2-methylpropoxy)propanoylamino]phenyl]benzamide
CID 55889049
4-chloro-N-[5-(3-cyclopentylpropanoylamino)-2-methoxyphenyl]-2-fluorobenzamide
CID 55890068

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide (CID 47063466) is N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide is COc1ccc(NC(=O)c2ccn[nH]2)cc1NC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is ORDBCRNVOAJRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O3/c1-27-16-5-3-11(22-18(26)14-6-7-21-24-14)9-15(16)23-17(25)12-4-2-10(19)8-13(12)20/h2-9H,1H3,(H,21,24)(H,22,26)(H,23,25).
What are the key properties of N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide?
N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 388.79 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 47063466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).