(2S)-2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-methylpentanamide

C16H26FN3O — CID 61173891

IUPAC(2S)-2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccc(N(C)C(C)C)c(F)c1
InChIInChI=1S/C16H26FN3O/c1-6-11(4)15(18)16(21)19-12-7-8-14(13(17)9-12)20(5)10(2)3/h7-11,15H,6,18H2,1-5H3,(H,19,21)/t11?,15-/m0/s1
InChIKeyKSLWNRLBRKHRTF-MHTVFEQDSA-N
MW295.40 g/mol
LogP2.98
Rot. Bonds6

About (2S)-2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-methylpentanamide

(2S)-2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-methylpentanamide (PubChem CID 61173891) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-methylpentanamide
PubChem CID61173891
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name(2S)-2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccc(N(C)C(C)C)c(F)c1
InChIInChI=1S/C16H26FN3O/c1-6-11(4)15(18)16(21)19-12-7-8-14(13(17)9-12)20(5)10(2)3/h7-11,15H,6,18H2,1-5H3,(H,19,21)/t11?,15-/m0/s1
InChIKeyKSLWNRLBRKHRTF-MHTVFEQDSA-N
XLogP2.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate
CID 61063654
(2S)-2-amino-N-(4-bromo-3-fluorophenyl)-3-methylpentanamide
CID 65437911
2,2,2-trifluoroethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate
CID 65168946
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride
CID 119734387
2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-methylbutanamide
CID 79796549
N-(3-acetamido-4-fluorophenyl)-2-amino-3-methylpentanamide;hydrochloride
CID 119702845
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-methylpentanamide
CID 61174610
2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]butanoic acid
CID 115352494
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypentanamide
CID 79200604
2-[2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]-2-oxoethoxy]acetic acid
CID 61327848

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-methylpentanamide (CID 61173891) is (2S)-2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-methylpentanamide is CCC(C)[C@H](N)C(=O)Nc1ccc(N(C)C(C)C)c(F)c1.
What is the InChIKey of (2S)-2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-methylpentanamide?
The InChIKey is KSLWNRLBRKHRTF-MHTVFEQDSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-6-11(4)15(18)16(21)19-12-7-8-14(13(17)9-12)20(5)10(2)3/h7-11,15H,6,18H2,1-5H3,(H,19,21)/t11?,15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-methylpentanamide?
(2S)-2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-methylpentanamide has a molecular weight of 295.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-methylpentanamide is sourced from PubChem (CID 61173891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).