N-cyclopropyl-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide

C20H21F2NO — CID 55925127

IUPACN-cyclopropyl-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide
SMILESCC(CC(=O)N(Cc1ccccc1F)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C20H21F2NO/c1-14(15-6-8-17(21)9-7-15)12-20(24)23(18-10-11-18)13-16-4-2-3-5-19(16)22/h2-9,14,18H,10-13H2,1H3
InChIKeyQDFYJENWXLPRNM-UHFFFAOYSA-N
MW329.39 g/mol
LogP4.65
Rot. Bonds6

About N-cyclopropyl-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide

N-cyclopropyl-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide (PubChem CID 55925127) has the molecular formula C20H21F2NO and a molecular weight of 329.39 g/mol. Its IUPAC name is N-cyclopropyl-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide
PubChem CID55925127
Molecular FormulaC20H21F2NO
Molecular Weight329.39 g/mol
Exact Mass329.16
IUPAC NameN-cyclopropyl-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide
SMILESCC(CC(=O)N(Cc1ccccc1F)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C20H21F2NO/c1-14(15-6-8-17(21)9-7-15)12-20(24)23(18-10-11-18)13-16-4-2-3-5-19(16)22/h2-9,14,18H,10-13H2,1H3
InChIKeyQDFYJENWXLPRNM-UHFFFAOYSA-N
XLogP4.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide
CID 55980382
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119272337
5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide
CID 82012605
3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide
CID 54870409
(2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 61162931
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide
CID 78810506
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 54869271
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 65229877
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119272346
1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 134013706
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(methylcarbamoylamino)acetamide
CID 75402782

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide?
The IUPAC name of N-cyclopropyl-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide (CID 55925127) is N-cyclopropyl-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide.
What is the SMILES notation for N-cyclopropyl-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide?
The canonical SMILES for N-cyclopropyl-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide is CC(CC(=O)N(Cc1ccccc1F)C1CC1)c1ccc(F)cc1.
What is the InChIKey of N-cyclopropyl-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide?
The InChIKey is QDFYJENWXLPRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO/c1-14(15-6-8-17(21)9-7-15)12-20(24)23(18-10-11-18)13-16-4-2-3-5-19(16)22/h2-9,14,18H,10-13H2,1H3.
What are the key properties of N-cyclopropyl-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide?
N-cyclopropyl-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide has a molecular weight of 329.39 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide is sourced from PubChem (CID 55925127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).