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

C16H22F2N2O — CID 62838323

IUPACN-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)N(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C16H22F2N2O/c1-3-19-11(2)8-16(21)20(14-6-7-14)10-12-4-5-13(17)9-15(12)18/h4-5,9,11,14,19H,3,6-8,10H2,1-2H3
InChIKeyWPKODPUEJFUKNJ-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.84
Rot. Bonds7

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

N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)butanamide (PubChem CID 62838323) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)butanamide
PubChem CID62838323
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC NameN-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)N(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C16H22F2N2O/c1-3-19-11(2)8-16(21)20(14-6-7-14)10-12-4-5-13(17)9-15(12)18/h4-5,9,11,14,19H,3,6-8,10H2,1-2H3
InChIKeyWPKODPUEJFUKNJ-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
CID 60938567
3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide
CID 54870409
N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)-N-methylbutanamide
CID 62837784
N-cyclopropyl-3-(ethylamino)-N-[(3-fluorophenyl)methyl]butanamide
CID 62838324
2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
CID 63679516
(2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119284890
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79286156
tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate
CID 63789029
3-[cyclopropyl-[2-(2,4-difluorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 120535316
1-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 62195914
N-cyclopropyl-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide
CID 55925127
3-[(2,4-difluorophenyl)methyl-methylamino]butanoic acid
CID 117042209

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)butanamide?
The IUPAC name of N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)butanamide (CID 62838323) is N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)butanamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)butanamide?
The canonical SMILES for N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)butanamide is CCNC(C)CC(=O)N(Cc1ccc(F)cc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)butanamide?
The InChIKey is WPKODPUEJFUKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-3-19-11(2)8-16(21)20(14-6-7-14)10-12-4-5-13(17)9-15(12)18/h4-5,9,11,14,19H,3,6-8,10H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)butanamide?
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)butanamide has a molecular weight of 296.36 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)butanamide is sourced from PubChem (CID 62838323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).