N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide

C18H20FN3O2 — CID 17462903

IUPACN-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
SMILESCC(C)C(NC(=O)Nc1ccccc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H20FN3O2/c1-12(2)16(17(23)20-15-10-8-13(19)9-11-15)22-18(24)21-14-6-4-3-5-7-14/h3-12,16H,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyMPGXRBKETAYNOF-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.61
Rot. Bonds5

About N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide

N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide (PubChem CID 17462903) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
PubChem CID17462903
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
SMILESCC(C)C(NC(=O)Nc1ccccc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H20FN3O2/c1-12(2)16(17(23)20-15-10-8-13(19)9-11-15)22-18(24)21-14-6-4-3-5-7-14/h3-12,16H,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyMPGXRBKETAYNOF-UHFFFAOYSA-N
XLogP3.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-difluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 134061504
3-methyl-N-[4-(2-methylpropanoylamino)phenyl]-2-(phenylcarbamoylamino)butanamide
CID 78773473
N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
(2R)-N-[(2-fluorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 26002082
4-fluoro-N-[(2R)-1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 95264771
N-[(2S)-1-anilino-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 7024146
(2R)-N-[2-(3-fluorophenyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 32934158
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
N-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 134045604
4-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide
CID 9255043
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616755
N-[(2-chlorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 46643344

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide?
The IUPAC name of N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide (CID 17462903) is N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide is CC(C)C(NC(=O)Nc1ccccc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide?
The InChIKey is MPGXRBKETAYNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-12(2)16(17(23)20-15-10-8-13(19)9-11-15)22-18(24)21-14-6-4-3-5-7-14/h3-12,16H,1-2H3,(H,20,23)(H2,21,22,24).
What are the key properties of N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide?
N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide has a molecular weight of 329.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide is sourced from PubChem (CID 17462903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).