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

C16H23FN2O — CID 82012605

IUPAC5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide
SMILESCC(CN)CCC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C16H23FN2O/c1-12(10-18)6-9-16(20)19(14-7-8-14)11-13-4-2-3-5-15(13)17/h2-5,12,14H,6-11,18H2,1H3
InChIKeyRIWKRVOLGOYHBM-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.69
Rot. Bonds7

About 5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide

5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide (PubChem CID 82012605) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide
PubChem CID82012605
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide
SMILESCC(CN)CCC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C16H23FN2O/c1-12(10-18)6-9-16(20)19(14-7-8-14)11-13-4-2-3-5-15(13)17/h2-5,12,14H,6-11,18H2,1H3
InChIKeyRIWKRVOLGOYHBM-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-methylpentanamide
CID 82011057
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 54869271
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119272346
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119272337
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 65229877
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 65229876
(2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 61162931
N-cyclopropyl-3-(cyclopropylamino)-N-[(2-fluorophenyl)methyl]propanamide
CID 60936622
N-cyclopropyl-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide
CID 55925127
N-cyclopropyl-3-(2-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 86985273
N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine
CID 81079897

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide?
The IUPAC name of 5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide (CID 82012605) is 5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide?
The canonical SMILES for 5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide is CC(CN)CCC(=O)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of 5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide?
The InChIKey is RIWKRVOLGOYHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12(10-18)6-9-16(20)19(14-7-8-14)11-13-4-2-3-5-15(13)17/h2-5,12,14H,6-11,18H2,1H3.
What are the key properties of 5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide?
5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide has a molecular weight of 278.37 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide is sourced from PubChem (CID 82012605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).