2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-4-methylbenzamide

C17H18ClNO2 — CID 154458103

IUPAC2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(C(CO)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClNO2/c1-11-2-7-15(17(19)21)16(8-11)13(10-20)9-12-3-5-14(18)6-4-12/h2-8,13,20H,9-10H2,1H3,(H2,19,21)
InChIKeyZUWQQWYMPVBLQL-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.07
Rot. Bonds5

About 2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-4-methylbenzamide

2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-4-methylbenzamide (PubChem CID 154458103) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-4-methylbenzamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-4-methylbenzamide
PubChem CID154458103
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(C(CO)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClNO2/c1-11-2-7-15(17(19)21)16(8-11)13(10-20)9-12-3-5-14(18)6-4-12/h2-8,13,20H,9-10H2,1H3,(H2,19,21)
InChIKeyZUWQQWYMPVBLQL-UHFFFAOYSA-N
XLogP3.07
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-chlorophenyl)propan-2-yl]benzamide
CID 142688432
3-(4-chlorophenyl)-2-(2,5-dimethylphenyl)propanoic acid
CID 82139348
(2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol
CID 42135569
2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid
CID 88843067
2-(4-chlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 61081695
1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60798023
2-bromo-N-[1-(4-chlorophenyl)propan-2-yl]-5-methylbenzamide
CID 81109562
(2R)-3-(4-chlorophenyl)-2-iodopropanamide
CID 138478190
2-(hydroxymethyl)-5-methylbenzamide
CID 166888103
2-(4-chlorophenyl)-N-(diaminomethylidene)-3-(4-methylphenyl)propanamide
CID 90028115
1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene
CID 91287342
1-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)ethanol
CID 63016785

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-4-methylbenzamide?
The IUPAC name of 2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-4-methylbenzamide (CID 154458103) is 2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-4-methylbenzamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-4-methylbenzamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-4-methylbenzamide is Cc1ccc(C(N)=O)c(C(CO)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-4-methylbenzamide?
The InChIKey is ZUWQQWYMPVBLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11-2-7-15(17(19)21)16(8-11)13(10-20)9-12-3-5-14(18)6-4-12/h2-8,13,20H,9-10H2,1H3,(H2,19,21).
What are the key properties of 2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-4-methylbenzamide?
2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-4-methylbenzamide has a molecular weight of 303.79 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-4-methylbenzamide is sourced from PubChem (CID 154458103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).