N-(3,5-difluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide

C18H19F2N3O2 — CID 134061504

IUPACN-(3,5-difluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
SMILESCC(C)C(NC(=O)Nc1ccccc1)C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C18H19F2N3O2/c1-11(2)16(23-18(25)22-14-6-4-3-5-7-14)17(24)21-15-9-12(19)8-13(20)10-15/h3-11,16H,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyVJUVKKNEQWJXJE-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.75
Rot. Bonds5

About N-(3,5-difluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide

N-(3,5-difluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide (PubChem CID 134061504) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
PubChem CID134061504
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC NameN-(3,5-difluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
SMILESCC(C)C(NC(=O)Nc1ccccc1)C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C18H19F2N3O2/c1-11(2)16(23-18(25)22-14-6-4-3-5-7-14)17(24)21-15-9-12(19)8-13(20)10-15/h3-11,16H,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyVJUVKKNEQWJXJE-UHFFFAOYSA-N
XLogP3.75
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 17462903
3-methyl-N-[4-(2-methylpropanoylamino)phenyl]-2-(phenylcarbamoylamino)butanamide
CID 78773473
(2R)-2-[(3,5-difluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 79009860
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 8981808
(2R)-N-[2-(3-fluorophenyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 32934158
(2R)-N-[(2-fluorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 26002082
2-[(3-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 61030090
(2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide
CID 95318688
N-[(2S)-1-anilino-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 7024146
2-[(3-fluoro-5-methylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 79049368
(2S)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 32674812
N-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 134045604

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide?
The IUPAC name of N-(3,5-difluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide (CID 134061504) is N-(3,5-difluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide?
The canonical SMILES for N-(3,5-difluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide is CC(C)C(NC(=O)Nc1ccccc1)C(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide?
The InChIKey is VJUVKKNEQWJXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-11(2)16(23-18(25)22-14-6-4-3-5-7-14)17(24)21-15-9-12(19)8-13(20)10-15/h3-11,16H,1-2H3,(H,21,24)(H2,22,23,25).
What are the key properties of N-(3,5-difluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide?
N-(3,5-difluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide has a molecular weight of 347.37 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide is sourced from PubChem (CID 134061504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).