3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide

C16H16ClNO2 — CID 91676950

IUPAC3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(C)O)c2)cc1Cl
InChIInChI=1S/C16H16ClNO2/c1-10-6-7-13(9-15(10)17)16(20)18-14-5-3-4-12(8-14)11(2)19/h3-9,11,19H,1-2H3,(H,18,20)
InChIKeySYWWGIYDSMOBHA-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.95
Rot. Bonds3

About 3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide

3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide (PubChem CID 91676950) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide
PubChem CID91676950
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(C)O)c2)cc1Cl
InChIInChI=1S/C16H16ClNO2/c1-10-6-7-13(9-15(10)17)16(20)18-14-5-3-4-12(8-14)11(2)19/h3-9,11,19H,1-2H3,(H,18,20)
InChIKeySYWWGIYDSMOBHA-UHFFFAOYSA-N
XLogP3.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 27209859
N-[3-(1-hydroxyethyl)phenyl]-4-methyl-3-nitrobenzamide
CID 4099768
4-chloro-N-[3-[(1R)-1-hydroxyethyl]phenyl]-3-nitrobenzamide
CID 100803593
N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide
CID 2937599
4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841391
N-[3-(1-hydroxyethyl)phenyl]-4-phenylbenzamide
CID 18552677
N-(3-carbamothioylphenyl)-3-chloro-4-methylbenzamide
CID 63195318
4-bromo-3-chloro-N-(3-propan-2-ylphenyl)benzamide
CID 81308165
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide
CID 100803572
3,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide
CID 91676952
2,5-dichloro-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 91676947

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide?
The IUPAC name of 3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide (CID 91676950) is 3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide?
The canonical SMILES for 3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(C(C)O)c2)cc1Cl.
What is the InChIKey of 3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide?
The InChIKey is SYWWGIYDSMOBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-10-6-7-13(9-15(10)17)16(20)18-14-5-3-4-12(8-14)11(2)19/h3-9,11,19H,1-2H3,(H,18,20).
What are the key properties of 3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide?
3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide has a molecular weight of 289.76 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 91676950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).