3-chloro-N-[(2R)-1-[4-(1-ethoxyethenyl)phenyl]propan-2-yl]-4-hydroxybenzamide

C20H22ClNO3 — CID 89135169

IUPAC3-chloro-N-[(2R)-1-[4-(1-ethoxyethenyl)phenyl]propan-2-yl]-4-hydroxybenzamide
SMILESC=C(OCC)c1ccc(C[C@@H](C)NC(=O)c2ccc(O)c(Cl)c2)cc1
InChIInChI=1S/C20H22ClNO3/c1-4-25-14(3)16-7-5-15(6-8-16)11-13(2)22-20(24)17-9-10-19(23)18(21)12-17/h5-10,12-13,23H,3-4,11H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyOBVFEGCZYVZNOQ-CYBMUJFWSA-N
MW359.85 g/mol
LogP4.41
Rot. Bonds7

About 3-chloro-N-[(2R)-1-[4-(1-ethoxyethenyl)phenyl]propan-2-yl]-4-hydroxybenzamide

3-chloro-N-[(2R)-1-[4-(1-ethoxyethenyl)phenyl]propan-2-yl]-4-hydroxybenzamide (PubChem CID 89135169) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-1-[4-(1-ethoxyethenyl)phenyl]propan-2-yl]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-1-[4-(1-ethoxyethenyl)phenyl]propan-2-yl]-4-hydroxybenzamide
PubChem CID89135169
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name3-chloro-N-[(2R)-1-[4-(1-ethoxyethenyl)phenyl]propan-2-yl]-4-hydroxybenzamide
SMILESC=C(OCC)c1ccc(C[C@@H](C)NC(=O)c2ccc(O)c(Cl)c2)cc1
InChIInChI=1S/C20H22ClNO3/c1-4-25-14(3)16-7-5-15(6-8-16)11-13(2)22-20(24)17-9-10-19(23)18(21)12-17/h5-10,12-13,23H,3-4,11H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyOBVFEGCZYVZNOQ-CYBMUJFWSA-N
XLogP4.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate
CID 60654193
1-(1-ethoxyethenyl)-4-(2-methylpropyl)benzene
CID 146686998
N-[(2R)-1-[4-[(E)-1-(3-bromo-2-methylidene-1-pyridinyl)prop-1-en-2-yl]phenyl]propan-2-yl]-3-chloro-4-hydroxybenzamide
CID 143134909
3,4-dichloro-N-[(2S)-1-(4-phenylmethoxyphenyl)propan-2-yl]benzamide
CID 70988226
3-chloro-4-hydroxybenzohydrazide
CID 10954268
N-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide
CID 114311603
3-chloro-N-hexan-3-yl-4-hydroxybenzamide
CID 62046987
3-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxybenzamide
CID 103110763
3-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxybenzamide
CID 75390611
(2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid
CID 107563234
N-[1-(4-aminophenyl)ethyl]-3-chloro-4-hydroxybenzamide
CID 43297503
3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
CID 879609

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-1-[4-(1-ethoxyethenyl)phenyl]propan-2-yl]-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-[(2R)-1-[4-(1-ethoxyethenyl)phenyl]propan-2-yl]-4-hydroxybenzamide (CID 89135169) is 3-chloro-N-[(2R)-1-[4-(1-ethoxyethenyl)phenyl]propan-2-yl]-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-[(2R)-1-[4-(1-ethoxyethenyl)phenyl]propan-2-yl]-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-[(2R)-1-[4-(1-ethoxyethenyl)phenyl]propan-2-yl]-4-hydroxybenzamide is C=C(OCC)c1ccc(C[C@@H](C)NC(=O)c2ccc(O)c(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[(2R)-1-[4-(1-ethoxyethenyl)phenyl]propan-2-yl]-4-hydroxybenzamide?
The InChIKey is OBVFEGCZYVZNOQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-4-25-14(3)16-7-5-15(6-8-16)11-13(2)22-20(24)17-9-10-19(23)18(21)12-17/h5-10,12-13,23H,3-4,11H2,1-2H3,(H,22,24)/t13-/m1/s1.
What are the key properties of 3-chloro-N-[(2R)-1-[4-(1-ethoxyethenyl)phenyl]propan-2-yl]-4-hydroxybenzamide?
3-chloro-N-[(2R)-1-[4-(1-ethoxyethenyl)phenyl]propan-2-yl]-4-hydroxybenzamide has a molecular weight of 359.85 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-1-[4-(1-ethoxyethenyl)phenyl]propan-2-yl]-4-hydroxybenzamide is sourced from PubChem (CID 89135169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).