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

C17H18ClNO2 — CID 74554915

IUPACN-(1-chloro-3-phenylpropan-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(CCl)Cc2ccccc2)c1
InChIInChI=1S/C17H18ClNO2/c1-21-16-9-5-8-14(11-16)17(20)19-15(12-18)10-13-6-3-2-4-7-13/h2-9,11,15H,10,12H2,1H3,(H,19,20)
InChIKeyLFOPICMSXWKJIX-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.28
Rot. Bonds6

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

N-(1-chloro-3-phenylpropan-2-yl)-3-methoxybenzamide (PubChem CID 74554915) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(1-chloro-3-phenylpropan-2-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1-chloro-3-phenylpropan-2-yl)-3-methoxybenzamide
PubChem CID74554915
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-(1-chloro-3-phenylpropan-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(CCl)Cc2ccccc2)c1
InChIInChI=1S/C17H18ClNO2/c1-21-16-9-5-8-14(11-16)17(20)19-15(12-18)10-13-6-3-2-4-7-13/h2-9,11,15H,10,12H2,1H3,(H,19,20)
InChIKeyLFOPICMSXWKJIX-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide
CID 114300288
3-bromo-N-(1-chloro-3-phenylpropan-2-yl)benzamide
CID 114300382
N-(1-chloro-3-phenylpropan-2-yl)-3,4-difluorobenzamide
CID 74554933
3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide
CID 110347364
4-bromo-3-chloro-N-(1-chloro-3-phenylpropan-2-yl)benzamide
CID 114300309
N-[(Z)-1-bromo-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-oxo-1-phenylprop-1-en-2-yl]-3-methoxybenzamide
CID 162660905
3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439
N-(1-bromo-3-methoxypropan-2-yl)-3-methoxybenzamide
CID 106183814
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
4-[[3-(difluoromethoxy)benzoyl]amino]-5-phenylpentanoic acid
CID 120546950
N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide
CID 110284554
3-methoxy-N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
CID 42703712

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-3-methoxybenzamide?
The IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-3-methoxybenzamide (CID 74554915) is N-(1-chloro-3-phenylpropan-2-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(1-chloro-3-phenylpropan-2-yl)-3-methoxybenzamide?
The canonical SMILES for N-(1-chloro-3-phenylpropan-2-yl)-3-methoxybenzamide is COc1cccc(C(=O)NC(CCl)Cc2ccccc2)c1.
What is the InChIKey of N-(1-chloro-3-phenylpropan-2-yl)-3-methoxybenzamide?
The InChIKey is LFOPICMSXWKJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-21-16-9-5-8-14(11-16)17(20)19-15(12-18)10-13-6-3-2-4-7-13/h2-9,11,15H,10,12H2,1H3,(H,19,20).
What are the key properties of N-(1-chloro-3-phenylpropan-2-yl)-3-methoxybenzamide?
N-(1-chloro-3-phenylpropan-2-yl)-3-methoxybenzamide has a molecular weight of 303.79 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 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-methoxybenzamide is sourced from PubChem (CID 74554915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).