3-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxybenzamide

C18H19ClN2O3 — CID 75390611

IUPAC3-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxybenzamide
SMILESCN(C)C(=O)C(Cc1ccccc1)NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C18H19ClN2O3/c1-21(2)18(24)15(10-12-6-4-3-5-7-12)20-17(23)13-8-9-16(22)14(19)11-13/h3-9,11,15,22H,10H2,1-2H3,(H,20,23)
InChIKeySYQYKYZGDMXZOL-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.47
Rot. Bonds5

About 3-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxybenzamide

3-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxybenzamide (PubChem CID 75390611) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 3-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxybenzamide
PubChem CID75390611
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name3-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxybenzamide
SMILESCN(C)C(=O)C(Cc1ccccc1)NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C18H19ClN2O3/c1-21(2)18(24)15(10-12-6-4-3-5-7-12)20-17(23)13-8-9-16(22)14(19)11-13/h3-9,11,15,22H,10H2,1-2H3,(H,20,23)
InChIKeySYQYKYZGDMXZOL-UHFFFAOYSA-N
XLogP2.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-hydroxy-N-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]benzamide
CID 95972136
(2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid
CID 107563234
3-chloro-N-(2-chloro-1-phenylethyl)-4-hydroxybenzamide
CID 114300062
3-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxybenzamide
CID 103110763
4-chloro-N-[1-[methyl(3,3,3-trifluoropropyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 56549123
3-bromo-5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
CID 57110781
4-chloro-N-[1-[cyclopentyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 112802698
(2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid
CID 29046743
N-[(2S)-1-[[cyano(methyl)amino]-methylamino]-1-oxo-3-phenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 59052372
N'-benzyl-3-chloro-4-hydroxy-N'-phenylbenzohydrazide
CID 75479031
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(methylamino)butanamide
CID 119780816
N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-2-ethoxybenzamide
CID 95181274

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxybenzamide (CID 75390611) is 3-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxybenzamide is CN(C)C(=O)C(Cc1ccccc1)NC(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxybenzamide?
The InChIKey is SYQYKYZGDMXZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-21(2)18(24)15(10-12-6-4-3-5-7-12)20-17(23)13-8-9-16(22)14(19)11-13/h3-9,11,15,22H,10H2,1-2H3,(H,20,23).
What are the key properties of 3-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxybenzamide?
3-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxybenzamide has a molecular weight of 346.81 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxybenzamide is sourced from PubChem (CID 75390611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).