2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-quinolin-5-ylformamide

C26H24ClN3O2 — CID 144901091

IUPAC2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-quinolin-5-ylformamide
SMILESCC(Cc1ccccc1)NC(=O)c1ccccc1Cl.O=CNc1cccc2ncccc12
InChIInChI=1S/C16H16ClNO.C10H8N2O/c1-12(11-13-7-3-2-4-8-13)18-16(19)14-9-5-6-10-15(14)17;13-7-12-10-5-1-4-9-8(10)3-2-6-11-9/h2-10,12H,11H2,1H3,(H,18,19);1-7H,(H,12,13)
InChIKeyIVIHYVNZNUSJAT-UHFFFAOYSA-N
MW445.95 g/mol
LogP5.50
Rot. Bonds6

About 2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-quinolin-5-ylformamide

2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-quinolin-5-ylformamide (PubChem CID 144901091) has the molecular formula C26H24ClN3O2 and a molecular weight of 445.95 g/mol. Its IUPAC name is 2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-quinolin-5-ylformamide.

Molecular Properties

Compound Name2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-quinolin-5-ylformamide
PubChem CID144901091
Molecular FormulaC26H24ClN3O2
Molecular Weight445.95 g/mol
Exact Mass445.16
IUPAC Name2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-quinolin-5-ylformamide
SMILESCC(Cc1ccccc1)NC(=O)c1ccccc1Cl.O=CNc1cccc2ncccc12
InChIInChI=1S/C16H16ClNO.C10H8N2O/c1-12(11-13-7-3-2-4-8-13)18-16(19)14-9-5-6-10-15(14)17;13-7-12-10-5-1-4-9-8(10)3-2-6-11-9/h2-10,12H,11H2,1H3,(H,18,19);1-7H,(H,12,13)
InChIKeyIVIHYVNZNUSJAT-UHFFFAOYSA-N
XLogP5.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.95
LogP ≤ 55.50
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-oxo-3-phenyl-1-(quinolin-5-ylamino)propan-2-yl]benzamide
CID 118296422
2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-[2-(difluoromethoxy)phenyl]formamide
CID 144900997
2-chloro-N-(1-oxo-3-phenylpropan-2-yl)benzamide;2-chloro-N-[1-oxo-3-phenyl-1-(quinolin-5-ylamino)propan-2-yl]benzamide;N-methylisoquinolin-5-amine
CID 144901013
N-(1H-benzimidazol-4-yl)formamide;2-fluoro-N-(1-phenylpropan-2-yl)benzamide
CID 167477236
3-amino-2-chloro-N-(1-phenylpropan-2-yl)benzamide
CID 115930534
2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one
CID 116552536
(2R)-2-(quinoline-5-carbonylamino)propanoic acid
CID 54990837
3-(quinoline-4-carbonylamino)butanoic acid
CID 81455717
(2S)-3-methyl-2-(quinoline-5-carbonylamino)butanoic acid
CID 61137612
2-benzamido-N-[(2S)-1-phenylpropan-2-yl]benzamide
CID 51412226
2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 7311900
N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide
CID 43040180

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-quinolin-5-ylformamide?
The IUPAC name of 2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-quinolin-5-ylformamide (CID 144901091) is 2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-quinolin-5-ylformamide.
What is the SMILES notation for 2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-quinolin-5-ylformamide?
The canonical SMILES for 2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-quinolin-5-ylformamide is CC(Cc1ccccc1)NC(=O)c1ccccc1Cl.O=CNc1cccc2ncccc12.
What is the InChIKey of 2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-quinolin-5-ylformamide?
The InChIKey is IVIHYVNZNUSJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO.C10H8N2O/c1-12(11-13-7-3-2-4-8-13)18-16(19)14-9-5-6-10-15(14)17;13-7-12-10-5-1-4-9-8(10)3-2-6-11-9/h2-10,12H,11H2,1H3,(H,18,19);1-7H,(H,12,13).
What are the key properties of 2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-quinolin-5-ylformamide?
2-chloro-N-(1-phenylpropan-2-yl)benzamide;N-quinolin-5-ylformamide has a molecular weight of 445.95 g/mol, XLogP of 5.50, 6 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-quinolin-5-ylformamide is sourced from PubChem (CID 144901091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).