2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-[2-(difluoromethoxy)phenyl]formamide

C24H23ClF2N2O3 — CID 144900997

IUPAC2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-[2-(difluoromethoxy)phenyl]formamide
SMILESCC(Cc1ccccc1)NC(=O)c1ccccc1Cl.O=CNc1ccccc1OC(F)F
InChIInChI=1S/C16H16ClNO.C8H7F2NO2/c1-12(11-13-7-3-2-4-8-13)18-16(19)14-9-5-6-10-15(14)17;9-8(10)13-7-4-2-1-3-6(7)11-5-12/h2-10,12H,11H2,1H3,(H,18,19);1-5,8H,(H,11,12)
InChIKeyJIGVYLYZZAXZNI-UHFFFAOYSA-N
MW460.91 g/mol
LogP5.56
Rot. Bonds8

About 2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-[2-(difluoromethoxy)phenyl]formamide

2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-[2-(difluoromethoxy)phenyl]formamide (PubChem CID 144900997) has the molecular formula C24H23ClF2N2O3 and a molecular weight of 460.91 g/mol. Its IUPAC name is 2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-[2-(difluoromethoxy)phenyl]formamide.

Molecular Properties

Compound Name2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-[2-(difluoromethoxy)phenyl]formamide
PubChem CID144900997
Molecular FormulaC24H23ClF2N2O3
Molecular Weight460.91 g/mol
Exact Mass460.14
IUPAC Name2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-[2-(difluoromethoxy)phenyl]formamide
SMILESCC(Cc1ccccc1)NC(=O)c1ccccc1Cl.O=CNc1ccccc1OC(F)F
InChIInChI=1S/C16H16ClNO.C8H7F2NO2/c1-12(11-13-7-3-2-4-8-13)18-16(19)14-9-5-6-10-15(14)17;9-8(10)13-7-4-2-1-3-6(7)11-5-12/h2-10,12H,11H2,1H3,(H,18,19);1-5,8H,(H,11,12)
InChIKeyJIGVYLYZZAXZNI-UHFFFAOYSA-N
XLogP5.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.91
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-quinolin-5-ylformamide
CID 144901091
2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418621
2-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 42933502
N-(1H-benzimidazol-4-yl)formamide;2-fluoro-N-(1-phenylpropan-2-yl)benzamide
CID 167477236
2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 144901028
2-benzamido-N-[(2S)-1-phenylpropan-2-yl]benzamide
CID 51412226
2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 7311900
2-chloro-N-[3-[2-(difluoromethoxy)anilino]-3-oxopropyl]benzamide
CID 7941475
3-amino-2-chloro-N-(1-phenylpropan-2-yl)benzamide
CID 115930534
2-chloro-N-(1-phenylpropan-2-yl)-5-sulfanylbenzamide
CID 107029219
2-amino-3-chloro-N-[2-(difluoromethoxy)phenyl]benzamide
CID 115540029
2-chloro-N-(5-methylhexan-2-yl)benzamide
CID 78789541

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-[2-(difluoromethoxy)phenyl]formamide?
The IUPAC name of 2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-[2-(difluoromethoxy)phenyl]formamide (CID 144900997) is 2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-[2-(difluoromethoxy)phenyl]formamide.
What is the SMILES notation for 2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-[2-(difluoromethoxy)phenyl]formamide?
The canonical SMILES for 2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-[2-(difluoromethoxy)phenyl]formamide is CC(Cc1ccccc1)NC(=O)c1ccccc1Cl.O=CNc1ccccc1OC(F)F.
What is the InChIKey of 2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-[2-(difluoromethoxy)phenyl]formamide?
The InChIKey is JIGVYLYZZAXZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO.C8H7F2NO2/c1-12(11-13-7-3-2-4-8-13)18-16(19)14-9-5-6-10-15(14)17;9-8(10)13-7-4-2-1-3-6(7)11-5-12/h2-10,12H,11H2,1H3,(H,18,19);1-5,8H,(H,11,12).
What are the key properties of 2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-[2-(difluoromethoxy)phenyl]formamide?
2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-[2-(difluoromethoxy)phenyl]formamide has a molecular weight of 460.91 g/mol, XLogP of 5.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-[2-(difluoromethoxy)phenyl]formamide is sourced from PubChem (CID 144900997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).