2-chloro-N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide

C20H19ClN4O2 — CID 24501980

IUPAC2-chloro-N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCn1ccc(NC(=O)CC(NC(=O)c2ccccc2Cl)c2ccccc2)n1
InChIInChI=1S/C20H19ClN4O2/c1-25-12-11-18(24-25)23-19(26)13-17(14-7-3-2-4-8-14)22-20(27)15-9-5-6-10-16(15)21/h2-12,17H,13H2,1H3,(H,22,27)(H,23,24,26)
InChIKeyOTVFOUXAVMGTPG-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.57
Rot. Bonds6

About 2-chloro-N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide

2-chloro-N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 24501980) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-chloro-N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID24501980
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name2-chloro-N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCn1ccc(NC(=O)CC(NC(=O)c2ccccc2Cl)c2ccccc2)n1
InChIInChI=1S/C20H19ClN4O2/c1-25-12-11-18(24-25)23-19(26)13-17(14-7-3-2-4-8-14)22-20(27)15-9-5-6-10-16(15)21/h2-12,17H,13H2,1H3,(H,22,27)(H,23,24,26)
InChIKeyOTVFOUXAVMGTPG-UHFFFAOYSA-N
XLogP3.57
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 31844726
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 25332382
2-chloro-N-[(1S)-3-[[(R)-(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 25475792
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylamino)propyl]benzamide
CID 41157074
N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 4806734
N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 55435292
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
(2S)-2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 166239591
N-[(1R)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 2081100
2-chloro-N-[(1S)-3-[2-(2-methylpropanoylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 93235676
2-chloro-N-[(1R)-3-(2-methylbutan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
CID 7700948
2-chloro-N-[(1R)-3-oxo-1-phenyl-3-[(4-phenyl-1,3-thiazol-5-yl)amino]propyl]benzamide
CID 52501029

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide (CID 24501980) is 2-chloro-N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide is Cn1ccc(NC(=O)CC(NC(=O)c2ccccc2Cl)c2ccccc2)n1.
What is the InChIKey of 2-chloro-N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is OTVFOUXAVMGTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-25-12-11-18(24-25)23-19(26)13-17(14-7-3-2-4-8-14)22-20(27)15-9-5-6-10-16(15)21/h2-12,17H,13H2,1H3,(H,22,27)(H,23,24,26).
What are the key properties of 2-chloro-N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide?
2-chloro-N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 382.85 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 24501980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).