(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpentanamide

C16H23FN2O — CID 110482473

IUPAC(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O/c1-11(2)9-14(18)15(20)19-10-16(7-8-16)12-3-5-13(17)6-4-12/h3-6,11,14H,7-10,18H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyANTMUSVJZXPUEP-AWEZNQCLSA-N
MW278.37 g/mol
LogP2.35
Rot. Bonds6

About (2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpentanamide

(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpentanamide (PubChem CID 110482473) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpentanamide
PubChem CID110482473
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O/c1-11(2)9-14(18)15(20)19-10-16(7-8-16)12-3-5-13(17)6-4-12/h3-6,11,14H,7-10,18H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyANTMUSVJZXPUEP-AWEZNQCLSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 119293598
2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 119293600
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide
CID 119731231
(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylsulfanylbutanamide
CID 119293591
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119731221
(2S)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]-4-methylpentanamide
CID 110482510
(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-phenylpropanamide
CID 119293561
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-hydroxybutyl)urea
CID 111337214
1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214285
4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide
CID 120561270
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide;hydrochloride
CID 119675788

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpentanamide (CID 110482473) is (2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NCC1(c2ccc(F)cc2)CC1.
What is the InChIKey of (2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpentanamide?
The InChIKey is ANTMUSVJZXPUEP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-11(2)9-14(18)15(20)19-10-16(7-8-16)12-3-5-13(17)6-4-12/h3-6,11,14H,7-10,18H2,1-2H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpentanamide?
(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpentanamide has a molecular weight of 278.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpentanamide is sourced from PubChem (CID 110482473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).