N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-hydroxy-4-methylpentanamide

C16H21F2NO2 — CID 75393986

IUPACN-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-hydroxy-4-methylpentanamide
SMILESCC(C)C(O)CC(=O)NCC1(c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H21F2NO2/c1-10(2)14(20)8-15(21)19-9-16(5-6-16)12-4-3-11(17)7-13(12)18/h3-4,7,10,14,20H,5-6,8-9H2,1-2H3,(H,19,21)
InChIKeyICCLRDBZQLBNPH-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.52
Rot. Bonds6

About N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-hydroxy-4-methylpentanamide

N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-hydroxy-4-methylpentanamide (PubChem CID 75393986) has the molecular formula C16H21F2NO2 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-hydroxy-4-methylpentanamide.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-hydroxy-4-methylpentanamide
PubChem CID75393986
Molecular FormulaC16H21F2NO2
Molecular Weight297.35 g/mol
Exact Mass297.15
IUPAC NameN-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-hydroxy-4-methylpentanamide
SMILESCC(C)C(O)CC(=O)NCC1(c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H21F2NO2/c1-10(2)14(20)8-15(21)19-9-16(5-6-16)12-4-3-11(17)7-13(12)18/h3-4,7,10,14,20H,5-6,8-9H2,1-2H3,(H,19,21)
InChIKeyICCLRDBZQLBNPH-UHFFFAOYSA-N
XLogP2.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 120873749
ethyl N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]carbamate
CID 110479352
N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-methyl-2-pyridin-4-ylbutanamide
CID 119036910
3-[[1-(2,4-difluorophenyl)cyclopentyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 122066556
3-[[1-(2,4-difluorophenyl)cyclopropyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122008220
N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 84592012
(3S)-3-(3-fluorophenyl)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide
CID 97057314
(2S)-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 97064234
N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine
CID 64560260
3-[[1-(2,4-difluorophenyl)cyclopentyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122010799
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide
CID 119731231
(2R)-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-methoxypropanamide
CID 97330719

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-hydroxy-4-methylpentanamide?
The IUPAC name of N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-hydroxy-4-methylpentanamide (CID 75393986) is N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-hydroxy-4-methylpentanamide.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-hydroxy-4-methylpentanamide?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-hydroxy-4-methylpentanamide is CC(C)C(O)CC(=O)NCC1(c2ccc(F)cc2F)CC1.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-hydroxy-4-methylpentanamide?
The InChIKey is ICCLRDBZQLBNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c1-10(2)14(20)8-15(21)19-9-16(5-6-16)12-4-3-11(17)7-13(12)18/h3-4,7,10,14,20H,5-6,8-9H2,1-2H3,(H,19,21).
What are the key properties of N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-hydroxy-4-methylpentanamide?
N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-hydroxy-4-methylpentanamide has a molecular weight of 297.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-hydroxy-4-methylpentanamide is sourced from PubChem (CID 75393986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).