N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-ethoxybenzamide

C17H18ClNO3 — CID 110004555

IUPACN-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC(CO)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO3/c1-2-22-15-9-5-13(6-10-15)17(21)19-16(11-20)12-3-7-14(18)8-4-12/h3-10,16,20H,2,11H2,1H3,(H,19,21)
InChIKeyDBIUQHVANSVVBI-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.20
Rot. Bonds6

About N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-ethoxybenzamide

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-ethoxybenzamide (PubChem CID 110004555) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-ethoxybenzamide
PubChem CID110004555
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC(CO)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO3/c1-2-22-15-9-5-13(6-10-15)17(21)19-16(11-20)12-3-7-14(18)8-4-12/h3-10,16,20H,2,11H2,1H3,(H,19,21)
InChIKeyDBIUQHVANSVVBI-UHFFFAOYSA-N
XLogP3.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfanylbenzamide
CID 110004599
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide
CID 110004301
(3R)-3-(4-ethoxyphenyl)-3-[(4-fluorobenzoyl)amino]propanoic acid
CID 717563
ethyl (3S)-3-[(4-ethoxybenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 7045180
3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid
CID 2947012
3-(4-chlorophenyl)-3-[(3,4-diethoxybenzoyl)amino]propanoate
CID 3434249
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate
CID 5058619
3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 3927464
ethyl (3S)-3-benzamido-3-(4-ethoxyphenyl)propanoate
CID 7310443
4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide
CID 81042787

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-ethoxybenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-ethoxybenzamide (CID 110004555) is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-ethoxybenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NC(CO)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-ethoxybenzamide?
The InChIKey is DBIUQHVANSVVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-2-22-15-9-5-13(6-10-15)17(21)19-16(11-20)12-3-7-14(18)8-4-12/h3-10,16,20H,2,11H2,1H3,(H,19,21).
What are the key properties of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-ethoxybenzamide?
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-ethoxybenzamide has a molecular weight of 319.79 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-ethoxybenzamide is sourced from PubChem (CID 110004555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).