N-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide

C16H16ClNO2 — CID 114300288

IUPACN-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide
SMILESO=C(NC(CCl)Cc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C16H16ClNO2/c17-11-14(9-12-5-2-1-3-6-12)18-16(20)13-7-4-8-15(19)10-13/h1-8,10,14,19H,9,11H2,(H,18,20)
InChIKeyPWDUOFBCUDJSSP-UHFFFAOYSA-N
MW289.76 g/mol
LogP2.97
Rot. Bonds5

About N-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide

N-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide (PubChem CID 114300288) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide
PubChem CID114300288
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide
SMILESO=C(NC(CCl)Cc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C16H16ClNO2/c17-11-14(9-12-5-2-1-3-6-12)18-16(20)13-7-4-8-15(19)10-13/h1-8,10,14,19H,9,11H2,(H,18,20)
InChIKeyPWDUOFBCUDJSSP-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(1-chloro-3-phenylpropan-2-yl)benzamide
CID 114300382
N-(1-chloro-3-phenylpropan-2-yl)-3-methoxybenzamide
CID 74554915
N-(1-chloro-3-phenylpropan-2-yl)-3,4-difluorobenzamide
CID 74554933
[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 57396637
(2-benzamido-3-phenylpropyl) 2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 76535138
4-bromo-3-chloro-N-(1-chloro-3-phenylpropan-2-yl)benzamide
CID 114300309
3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861182
N-[(2S)-1-(3-hydroxyphenyl)hexan-2-yl]benzamide
CID 175696800
3-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260610
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide
CID 107861091
3-methyl-N-[(2R)-1-phenylbutan-2-yl]benzamide
CID 2226547
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 39086919

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide?
The IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide (CID 114300288) is N-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide.
What is the SMILES notation for N-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide?
The canonical SMILES for N-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide is O=C(NC(CCl)Cc1ccccc1)c1cccc(O)c1.
What is the InChIKey of N-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide?
The InChIKey is PWDUOFBCUDJSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-11-14(9-12-5-2-1-3-6-12)18-16(20)13-7-4-8-15(19)10-13/h1-8,10,14,19H,9,11H2,(H,18,20).
What are the key properties of N-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide?
N-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide has a molecular weight of 289.76 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide is sourced from PubChem (CID 114300288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).