N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)-N-methylbutanamide

C14H20F2N2O — CID 62837784

IUPACN-[(2,4-difluorophenyl)methyl]-3-(ethylamino)-N-methylbutanamide
SMILESCCNC(C)CC(=O)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2O/c1-4-17-10(2)7-14(19)18(3)9-11-5-6-12(15)8-13(11)16/h5-6,8,10,17H,4,7,9H2,1-3H3
InChIKeyRBORRHMHIPRRMU-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.31
Rot. Bonds6

About N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)-N-methylbutanamide

N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)-N-methylbutanamide (PubChem CID 62837784) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)-N-methylbutanamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-3-(ethylamino)-N-methylbutanamide
PubChem CID62837784
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC NameN-[(2,4-difluorophenyl)methyl]-3-(ethylamino)-N-methylbutanamide
SMILESCCNC(C)CC(=O)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2O/c1-4-17-10(2)7-14(19)18(3)9-11-5-6-12(15)8-13(11)16/h5-6,8,10,17H,4,7,9H2,1-3H3
InChIKeyRBORRHMHIPRRMU-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.31
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
3-amino-N-[(2,4-difluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119703011
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
1-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 62195914
2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 107904260
ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60725198
3-[(2,4-difluorophenyl)methyl-methylamino]butanoic acid
CID 117042209
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 134046604
2-(butan-2-ylamino)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
CID 60938567
5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid
CID 54874892
3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide
CID 55122842
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)-N-methylbutanamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)-N-methylbutanamide (CID 62837784) is N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)-N-methylbutanamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)-N-methylbutanamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)-N-methylbutanamide is CCNC(C)CC(=O)N(C)Cc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)-N-methylbutanamide?
The InChIKey is RBORRHMHIPRRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-4-17-10(2)7-14(19)18(3)9-11-5-6-12(15)8-13(11)16/h5-6,8,10,17H,4,7,9H2,1-3H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)-N-methylbutanamide?
N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)-N-methylbutanamide has a molecular weight of 270.32 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)-N-methylbutanamide is sourced from PubChem (CID 62837784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).