2-chloro-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-4,5-dimethylbenzamide

C19H22ClNO3 — CID 110028188

IUPAC2-chloro-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-4,5-dimethylbenzamide
SMILESCOc1ccc(C(O)C(C)NC(=O)c2cc(C)c(C)cc2Cl)cc1
InChIInChI=1S/C19H22ClNO3/c1-11-9-16(17(20)10-12(11)2)19(23)21-13(3)18(22)14-5-7-15(24-4)8-6-14/h5-10,13,18,22H,1-4H3,(H,21,23)
InChIKeyFIJGKEJLBCBVFV-UHFFFAOYSA-N
MW347.84 g/mol
LogP3.82
Rot. Bonds5

About 2-chloro-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-4,5-dimethylbenzamide

2-chloro-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-4,5-dimethylbenzamide (PubChem CID 110028188) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 2-chloro-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-4,5-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-4,5-dimethylbenzamide
PubChem CID110028188
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name2-chloro-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-4,5-dimethylbenzamide
SMILESCOc1ccc(C(O)C(C)NC(=O)c2cc(C)c(C)cc2Cl)cc1
InChIInChI=1S/C19H22ClNO3/c1-11-9-16(17(20)10-12(11)2)19(23)21-13(3)18(22)14-5-7-15(24-4)8-6-14/h5-10,13,18,22H,1-4H3,(H,21,23)
InChIKeyFIJGKEJLBCBVFV-UHFFFAOYSA-N
XLogP3.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide
CID 97071689
N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide
CID 97071690
2,5-dichloro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 27830567
4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81230651
[[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]carbamic acid
CID 174855918
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730
5-bromo-2-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide
CID 58185158
2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 114918638
2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
CID 16559317
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,5-dimethylbenzamide
CID 75385860
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one
CID 102032206
2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methylbutanoic acid
CID 120513273

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-4,5-dimethylbenzamide?
The IUPAC name of 2-chloro-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-4,5-dimethylbenzamide (CID 110028188) is 2-chloro-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-4,5-dimethylbenzamide.
What is the SMILES notation for 2-chloro-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-4,5-dimethylbenzamide?
The canonical SMILES for 2-chloro-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-4,5-dimethylbenzamide is COc1ccc(C(O)C(C)NC(=O)c2cc(C)c(C)cc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-4,5-dimethylbenzamide?
The InChIKey is FIJGKEJLBCBVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-11-9-16(17(20)10-12(11)2)19(23)21-13(3)18(22)14-5-7-15(24-4)8-6-14/h5-10,13,18,22H,1-4H3,(H,21,23).
What are the key properties of 2-chloro-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-4,5-dimethylbenzamide?
2-chloro-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-4,5-dimethylbenzamide has a molecular weight of 347.84 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-4,5-dimethylbenzamide is sourced from PubChem (CID 110028188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).