2-(3-benzoylphenyl)-2-chloro-N-naphthalen-1-ylpropanamide

C26H20ClNO2 — CID 163297603

IUPAC2-(3-benzoylphenyl)-2-chloro-N-naphthalen-1-ylpropanamide
SMILESCC(Cl)(C(=O)Nc1cccc2ccccc12)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C26H20ClNO2/c1-26(27,25(30)28-23-16-8-12-18-9-5-6-15-22(18)23)21-14-7-13-20(17-21)24(29)19-10-3-2-4-11-19/h2-17H,1H3,(H,28,30)
InChIKeyJJXWVZMIUBCPMZ-UHFFFAOYSA-N
MW413.90 g/mol
LogP6.16
Rot. Bonds5

About 2-(3-benzoylphenyl)-2-chloro-N-naphthalen-1-ylpropanamide

2-(3-benzoylphenyl)-2-chloro-N-naphthalen-1-ylpropanamide (PubChem CID 163297603) has the molecular formula C26H20ClNO2 and a molecular weight of 413.90 g/mol. Its IUPAC name is 2-(3-benzoylphenyl)-2-chloro-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name2-(3-benzoylphenyl)-2-chloro-N-naphthalen-1-ylpropanamide
PubChem CID163297603
Molecular FormulaC26H20ClNO2
Molecular Weight413.90 g/mol
Exact Mass413.12
IUPAC Name2-(3-benzoylphenyl)-2-chloro-N-naphthalen-1-ylpropanamide
SMILESCC(Cl)(C(=O)Nc1cccc2ccccc12)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C26H20ClNO2/c1-26(27,25(30)28-23-16-8-12-18-9-5-6-15-22(18)23)21-14-7-13-20(17-21)24(29)19-10-3-2-4-11-19/h2-17H,1H3,(H,28,30)
InChIKeyJJXWVZMIUBCPMZ-UHFFFAOYSA-N
XLogP6.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.90
LogP ≤ 56.16
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

2,2-dimethyl-N-naphthalen-1-ylbutanamide
CID 59672446
3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide
CID 65264771
2-chloro-5,5,5-trifluoro-N-naphthalen-1-yl-2-phenylpentanamide
CID 163297566
1-naphthalen-1-yl-3-tritylurea
CID 4029941
3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide
CID 35186877
(2R)-2-benzyl-N-hydroxy-2-methyl-N'-naphthalen-1-ylpropanediamide
CID 102506983
methyl 2-(3-benzoylphenyl)-2-methylpropanoate
CID 54260282
(2S,3S)-2,3-bis[(3-methylbenzoyl)oxy]-4-(naphthalen-1-ylamino)-4-oxobutanoic acid
CID 126393402
(2S,3R)-2,3-dibenzoyloxy-4-(naphthalen-1-ylamino)-4-oxobutanoic acid
CID 41302053
N-anthracen-1-yl-2,2-dimethylpropanamide
CID 54051117
2-(3-benzoylphenyl)-2-hydroxypropanoic acid;ethane
CID 143590159
2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide
CID 14812883

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoylphenyl)-2-chloro-N-naphthalen-1-ylpropanamide?
The IUPAC name of 2-(3-benzoylphenyl)-2-chloro-N-naphthalen-1-ylpropanamide (CID 163297603) is 2-(3-benzoylphenyl)-2-chloro-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 2-(3-benzoylphenyl)-2-chloro-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 2-(3-benzoylphenyl)-2-chloro-N-naphthalen-1-ylpropanamide is CC(Cl)(C(=O)Nc1cccc2ccccc12)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 2-(3-benzoylphenyl)-2-chloro-N-naphthalen-1-ylpropanamide?
The InChIKey is JJXWVZMIUBCPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClNO2/c1-26(27,25(30)28-23-16-8-12-18-9-5-6-15-22(18)23)21-14-7-13-20(17-21)24(29)19-10-3-2-4-11-19/h2-17H,1H3,(H,28,30).
What are the key properties of 2-(3-benzoylphenyl)-2-chloro-N-naphthalen-1-ylpropanamide?
2-(3-benzoylphenyl)-2-chloro-N-naphthalen-1-ylpropanamide has a molecular weight of 413.90 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoylphenyl)-2-chloro-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 163297603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).