N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-2,4-difluorobenzamide

C16H13ClF2N2O2 — CID 86791402

IUPACN-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-2,4-difluorobenzamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(F)c(Cl)c1F
InChIInChI=1S/C16H13ClF2N2O2/c17-13-11(18)7-6-10(14(13)19)16(23)21-12(15(20)22)8-9-4-2-1-3-5-9/h1-7,12H,8H2,(H2,20,22)(H,21,23)
InChIKeySKWIEYLQENXLSA-UHFFFAOYSA-N
MW338.74 g/mol
LogP2.44
Rot. Bonds5

About N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-2,4-difluorobenzamide

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-2,4-difluorobenzamide (PubChem CID 86791402) has the molecular formula C16H13ClF2N2O2 and a molecular weight of 338.74 g/mol. Its IUPAC name is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-2,4-difluorobenzamide
PubChem CID86791402
Molecular FormulaC16H13ClF2N2O2
Molecular Weight338.74 g/mol
Exact Mass338.06
IUPAC NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-2,4-difluorobenzamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(F)c(Cl)c1F
InChIInChI=1S/C16H13ClF2N2O2/c17-13-11(18)7-6-10(14(13)19)16(23)21-12(15(20)22)8-9-4-2-1-3-5-9/h1-7,12H,8H2,(H2,20,22)(H,21,23)
InChIKeySKWIEYLQENXLSA-UHFFFAOYSA-N
XLogP2.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.74
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
CID 52766251
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-chlorobenzamide
CID 10278297
N-[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2,3,4,5,6-pentafluorobenzamide
CID 71613099
5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 146128298
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 95773647
4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673887
(2R)-2-[3-(2,5-difluorophenyl)propanoylamino]-3-phenylpropanamide
CID 94818763
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
CID 3511221
5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid
CID 123313269
N-[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2,4-dichlorobenzamide
CID 44572425
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(difluoromethylsulfanyl)benzamide
CID 48731808

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-2,4-difluorobenzamide?
The IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-2,4-difluorobenzamide (CID 86791402) is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-2,4-difluorobenzamide.
What is the SMILES notation for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-2,4-difluorobenzamide?
The canonical SMILES for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-2,4-difluorobenzamide is NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(F)c(Cl)c1F.
What is the InChIKey of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-2,4-difluorobenzamide?
The InChIKey is SKWIEYLQENXLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2O2/c17-13-11(18)7-6-10(14(13)19)16(23)21-12(15(20)22)8-9-4-2-1-3-5-9/h1-7,12H,8H2,(H2,20,22)(H,21,23).
What are the key properties of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-2,4-difluorobenzamide?
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-2,4-difluorobenzamide has a molecular weight of 338.74 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-2,4-difluorobenzamide is sourced from PubChem (CID 86791402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).