(2R)-2-amino-N-[2-(4-fluorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide

C14H17FN4O — CID 156533963

IUPAC(2R)-2-amino-N-[2-(4-fluorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide
SMILESN[C@H](Cc1cnc[nH]1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H17FN4O/c15-11-3-1-10(2-4-11)5-6-18-14(20)13(16)7-12-8-17-9-19-12/h1-4,8-9,13H,5-7,16H2,(H,17,19)(H,18,20)/t13-/m1/s1
InChIKeyHVTMNQVZQMZNMN-CYBMUJFWSA-N
MW276.31 g/mol
LogP0.78
Rot. Bonds6

About (2R)-2-amino-N-[2-(4-fluorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide

(2R)-2-amino-N-[2-(4-fluorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide (PubChem CID 156533963) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(4-fluorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(4-fluorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide
PubChem CID156533963
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name(2R)-2-amino-N-[2-(4-fluorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide
SMILESN[C@H](Cc1cnc[nH]1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H17FN4O/c15-11-3-1-10(2-4-11)5-6-18-14(20)13(16)7-12-8-17-9-19-12/h1-4,8-9,13H,5-7,16H2,(H,17,19)(H,18,20)/t13-/m1/s1
InChIKeyHVTMNQVZQMZNMN-CYBMUJFWSA-N
XLogP0.78
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide
CID 156533932
(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
CID 146440123
(2S)-2-amino-N-(3-aminopropyl)-3-(1H-imidazol-5-yl)propanamide
CID 67571460
(2S)-2-amino-3-(1H-imidazol-5-yl)-N-(2-methoxyethyl)propanamide
CID 68976310
2-amino-3-(1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 156533952
(2S)-2-amino-3-(1H-imidazol-5-yl)-N-(3-methylsulfanylpropyl)propanamide
CID 171776509
(2S)-2-amino-N-dodecyl-3-(1H-imidazol-5-yl)propanamide
CID 10805811
(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide
CID 146440140
(3S)-3-amino-4-[[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]amino]-4-oxobutanoic acid
CID 67112441
(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propanamide
CID 156554587
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide;hydrochloride
CID 119675788
(2S)-2-amino-3-((2,4-13C2)1H-imidazol-5-yl)(113C)propanoic acid
CID 102176482

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(4-fluorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide?
The IUPAC name of (2R)-2-amino-N-[2-(4-fluorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide (CID 156533963) is (2R)-2-amino-N-[2-(4-fluorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(4-fluorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(4-fluorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide is N[C@H](Cc1cnc[nH]1)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of (2R)-2-amino-N-[2-(4-fluorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide?
The InChIKey is HVTMNQVZQMZNMN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17FN4O/c15-11-3-1-10(2-4-11)5-6-18-14(20)13(16)7-12-8-17-9-19-12/h1-4,8-9,13H,5-7,16H2,(H,17,19)(H,18,20)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(4-fluorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide?
(2R)-2-amino-N-[2-(4-fluorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide has a molecular weight of 276.31 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(4-fluorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide is sourced from PubChem (CID 156533963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).