3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide

C14H18F2N2O — CID 54870409

IUPAC3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide
SMILESCC(N)CC(=O)N(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C14H18F2N2O/c1-9(17)6-14(19)18(12-4-5-12)8-10-2-3-11(15)7-13(10)16/h2-3,7,9,12H,4-6,8,17H2,1H3
InChIKeyJEDAUBSRZRCSOD-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.19
Rot. Bonds5

About 3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide

3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide (PubChem CID 54870409) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide
PubChem CID54870409
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide
SMILESCC(N)CC(=O)N(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C14H18F2N2O/c1-9(17)6-14(19)18(12-4-5-12)8-10-2-3-11(15)7-13(10)16/h2-3,7,9,12H,4-6,8,17H2,1H3
InChIKeyJEDAUBSRZRCSOD-UHFFFAOYSA-N
XLogP2.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)butanamide
CID 62838323
(2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119284890
2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
CID 63679516
3-amino-N-[(2,4-difluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119703011
2-(butan-2-ylamino)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
CID 60938567
4-amino-N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pentanamide;hydrochloride
CID 120563897
3-[cyclopropyl-[2-(2,4-difluorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 120535316
tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate
CID 63789029
N-cyclopropyl-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide
CID 55925127
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79286156
1-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115448025
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 112816231

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide (CID 54870409) is 3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide is CC(N)CC(=O)N(Cc1ccc(F)cc1F)C1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide?
The InChIKey is JEDAUBSRZRCSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-9(17)6-14(19)18(12-4-5-12)8-10-2-3-11(15)7-13(10)16/h2-3,7,9,12H,4-6,8,17H2,1H3.
What are the key properties of 3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide?
3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide has a molecular weight of 268.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide is sourced from PubChem (CID 54870409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).