N-[4-chloro-2-[(1R)-1-hydroxypropyl]phenyl]benzamide

C16H16ClNO2 — CID 7337863

IUPACN-[4-chloro-2-[(1R)-1-hydroxypropyl]phenyl]benzamide
SMILESCC[C@@H](O)c1cc(Cl)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-2-15(19)13-10-12(17)8-9-14(13)18-16(20)11-6-4-3-5-7-11/h3-10,15,19H,2H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyZYUACCOAUOUIID-OAHLLOKOSA-N
MW289.76 g/mol
LogP4.04
Rot. Bonds4

About N-[4-chloro-2-[(1R)-1-hydroxypropyl]phenyl]benzamide

N-[4-chloro-2-[(1R)-1-hydroxypropyl]phenyl]benzamide (PubChem CID 7337863) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-[4-chloro-2-[(1R)-1-hydroxypropyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(1R)-1-hydroxypropyl]phenyl]benzamide
PubChem CID7337863
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-[4-chloro-2-[(1R)-1-hydroxypropyl]phenyl]benzamide
SMILESCC[C@@H](O)c1cc(Cl)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-2-15(19)13-10-12(17)8-9-14(13)18-16(20)11-6-4-3-5-7-11/h3-10,15,19H,2H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyZYUACCOAUOUIID-OAHLLOKOSA-N
XLogP4.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-hydroxypropyl)phenyl]benzamide
CID 5304891
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-3,4,5-triethoxybenzamide
CID 95733607
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide
CID 95733551
3-butoxy-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]benzamide
CID 95733544
N-[4-chloro-2-[(S)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]benzamide
CID 1162893
N-[4-chloro-2-[(R)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]benzamide
CID 1162895
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-3-methoxybenzamide
CID 95362021
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dimethylbenzamide
CID 50882522
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
3-bromo-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide
CID 95733575
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide
CID 50882557

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(1R)-1-hydroxypropyl]phenyl]benzamide?
The IUPAC name of N-[4-chloro-2-[(1R)-1-hydroxypropyl]phenyl]benzamide (CID 7337863) is N-[4-chloro-2-[(1R)-1-hydroxypropyl]phenyl]benzamide.
What is the SMILES notation for N-[4-chloro-2-[(1R)-1-hydroxypropyl]phenyl]benzamide?
The canonical SMILES for N-[4-chloro-2-[(1R)-1-hydroxypropyl]phenyl]benzamide is CC[C@@H](O)c1cc(Cl)ccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[4-chloro-2-[(1R)-1-hydroxypropyl]phenyl]benzamide?
The InChIKey is ZYUACCOAUOUIID-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-2-15(19)13-10-12(17)8-9-14(13)18-16(20)11-6-4-3-5-7-11/h3-10,15,19H,2H2,1H3,(H,18,20)/t15-/m1/s1.
What are the key properties of N-[4-chloro-2-[(1R)-1-hydroxypropyl]phenyl]benzamide?
N-[4-chloro-2-[(1R)-1-hydroxypropyl]phenyl]benzamide has a molecular weight of 289.76 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(1R)-1-hydroxypropyl]phenyl]benzamide is sourced from PubChem (CID 7337863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).