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

C16H17NO2 — CID 93040828

IUPACN-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc([C@H](C)O)cc2)c1
InChIInChI=1S/C16H17NO2/c1-11-4-3-5-14(10-11)16(19)17-15-8-6-13(7-9-15)12(2)18/h3-10,12,18H,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyRJJDEDWSYMTRKG-LBPRGKRZSA-N
MW255.32 g/mol
LogP3.30
Rot. Bonds3

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

N-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide (PubChem CID 93040828) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide
PubChem CID93040828
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc([C@H](C)O)cc2)c1
InChIInChI=1S/C16H17NO2/c1-11-4-3-5-14(10-11)16(19)17-15-8-6-13(7-9-15)12(2)18/h3-10,12,18H,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyRJJDEDWSYMTRKG-LBPRGKRZSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide
CID 43416663
CID 87724838
CID 87724838
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
N-(4-formamidophenyl)-3-methylbenzamide
CID 168653169
3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide
CID 100803507
3-methyl-N-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]benzamide
CID 54840407
3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365
N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide
CID 43416665
N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide
CID 7731668
2-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide
CID 43508388
N-[4-(2-formylhydrazinyl)phenyl]-3-methylbenzamide
CID 20661930

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide (CID 93040828) is N-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc([C@H](C)O)cc2)c1.
What is the InChIKey of N-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide?
The InChIKey is RJJDEDWSYMTRKG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-4-3-5-14(10-11)16(19)17-15-8-6-13(7-9-15)12(2)18/h3-10,12,18H,1-2H3,(H,17,19)/t12-/m0/s1.
What are the key properties of N-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide?
N-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide has a molecular weight of 255.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 93040828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).