N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylpyrazol-1-yl)propanamide

C16H19ClN4O3 — CID 131932476

IUPACN-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCOCC(=O)Nc1ccc(NC(=O)CCn2ccc(C)n2)cc1Cl
InChIInChI=1S/C16H19ClN4O3/c1-11-5-7-21(20-11)8-6-15(22)18-12-3-4-14(13(17)9-12)19-16(23)10-24-2/h3-5,7,9H,6,8,10H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyQGTGFANJCCBQIH-UHFFFAOYSA-N
MW350.81 g/mol
LogP2.46
Rot. Bonds7

About N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylpyrazol-1-yl)propanamide

N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 131932476) has the molecular formula C16H19ClN4O3 and a molecular weight of 350.81 g/mol. Its IUPAC name is N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID131932476
Molecular FormulaC16H19ClN4O3
Molecular Weight350.81 g/mol
Exact Mass350.11
IUPAC NameN-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCOCC(=O)Nc1ccc(NC(=O)CCn2ccc(C)n2)cc1Cl
InChIInChI=1S/C16H19ClN4O3/c1-11-5-7-21(20-11)8-6-15(22)18-12-3-4-14(13(17)9-12)19-16(23)10-24-2/h3-5,7,9H,6,8,10H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyQGTGFANJCCBQIH-UHFFFAOYSA-N
XLogP2.46
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 46339411
N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 131933694
N-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555733
N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 46339386
1-[3-(3-chloro-4-methylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470648
N-(2-chloro-5-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555815
N-[1-(methoxymethyl)pyrazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19559500
N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 131890366
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
N-(1,5-dimethylpyrazol-4-yl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555805
3-(4-bromo-3-methylpyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide
CID 19561959
N-(2-chloro-4-hydroxyphenyl)-2-methoxyacetamide
CID 64786575

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylpyrazol-1-yl)propanamide (CID 131932476) is N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylpyrazol-1-yl)propanamide is COCC(=O)Nc1ccc(NC(=O)CCn2ccc(C)n2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is QGTGFANJCCBQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3/c1-11-5-7-21(20-11)8-6-15(22)18-12-3-4-14(13(17)9-12)19-16(23)10-24-2/h3-5,7,9H,6,8,10H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylpyrazol-1-yl)propanamide?
N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 350.81 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 131932476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).