2,4-dichloro-6-hydroxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide

C14H15Cl2N3O2 — CID 97234758

IUPAC2,4-dichloro-6-hydroxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
SMILESCc1cc(C[C@H](C)NC(=O)c2c(O)cc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C14H15Cl2N3O2/c1-7(3-10-4-8(2)18-19-10)17-14(21)13-11(16)5-9(15)6-12(13)20/h4-7,20H,3H2,1-2H3,(H,17,21)(H,18,19)/t7-/m0/s1
InChIKeyGBEOKLCVQNBLBN-ZETCQYMHSA-N
MW328.20 g/mol
LogP3.09
Rot. Bonds4

About 2,4-dichloro-6-hydroxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide

2,4-dichloro-6-hydroxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide (PubChem CID 97234758) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 2,4-dichloro-6-hydroxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-6-hydroxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
PubChem CID97234758
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name2,4-dichloro-6-hydroxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
SMILESCc1cc(C[C@H](C)NC(=O)c2c(O)cc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C14H15Cl2N3O2/c1-7(3-10-4-8(2)18-19-10)17-14(21)13-11(16)5-9(15)6-12(13)20/h4-7,20H,3H2,1-2H3,(H,17,21)(H,18,19)/t7-/m0/s1
InChIKeyGBEOKLCVQNBLBN-ZETCQYMHSA-N
XLogP3.09
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-6-hydroxy-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 97234757
3,5-dimethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,2-oxazole-4-carboxamide
CID 91761818
2,4-dichloro-6-hydroxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 96525639
2,4-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-hydroxybenzamide
CID 71860642
2,4-dichloro-N-(1-cyanopropan-2-yl)-6-hydroxybenzamide
CID 75424748
5,7-dichloro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 126781100
2-methyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 95148304
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99714466
N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-oxo-1H-pyrazine-3-carboxamide
CID 95228203
4-(2,6-dimethyl-4-pyridinyl)-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 126423253
2-chloro-4-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]carbamoylamino]-N-propylbenzamide
CID 124593965
4-[4-(2-hydroxyethyl)phenyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 121498220

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-hydroxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-6-hydroxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide (CID 97234758) is 2,4-dichloro-6-hydroxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-6-hydroxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-6-hydroxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide is Cc1cc(C[C@H](C)NC(=O)c2c(O)cc(Cl)cc2Cl)n[nH]1.
What is the InChIKey of 2,4-dichloro-6-hydroxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide?
The InChIKey is GBEOKLCVQNBLBN-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c1-7(3-10-4-8(2)18-19-10)17-14(21)13-11(16)5-9(15)6-12(13)20/h4-7,20H,3H2,1-2H3,(H,17,21)(H,18,19)/t7-/m0/s1.
What are the key properties of 2,4-dichloro-6-hydroxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide?
2,4-dichloro-6-hydroxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide has a molecular weight of 328.20 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-hydroxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide is sourced from PubChem (CID 97234758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).