N-cyclopropyl-3-(ethylamino)-N-[(3-fluorophenyl)methyl]butanamide

C16H23FN2O — CID 62838324

IUPACN-cyclopropyl-3-(ethylamino)-N-[(3-fluorophenyl)methyl]butanamide
SMILESCCNC(C)CC(=O)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C16H23FN2O/c1-3-18-12(2)9-16(20)19(15-7-8-15)11-13-5-4-6-14(17)10-13/h4-6,10,12,15,18H,3,7-9,11H2,1-2H3
InChIKeyZMRWBMHXZJKVAT-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.70
Rot. Bonds7

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

N-cyclopropyl-3-(ethylamino)-N-[(3-fluorophenyl)methyl]butanamide (PubChem CID 62838324) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-cyclopropyl-3-(ethylamino)-N-[(3-fluorophenyl)methyl]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(ethylamino)-N-[(3-fluorophenyl)methyl]butanamide
PubChem CID62838324
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-cyclopropyl-3-(ethylamino)-N-[(3-fluorophenyl)methyl]butanamide
SMILESCCNC(C)CC(=O)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C16H23FN2O/c1-3-18-12(2)9-16(20)19(15-7-8-15)11-13-5-4-6-14(17)10-13/h4-6,10,12,15,18H,3,7-9,11H2,1-2H3
InChIKeyZMRWBMHXZJKVAT-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.70
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
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-oxobutanamide
CID 54876800
3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-oxopropanoic acid
CID 55049064
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119715339
3-(tert-butylamino)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide
CID 60938458
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111536551
2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide
CID 166407663
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119715351
N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 78851901
2-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 115580461
2-(4-aminophenyl)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride
CID 119715337
2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide
CID 60939195

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(ethylamino)-N-[(3-fluorophenyl)methyl]butanamide?
The IUPAC name of N-cyclopropyl-3-(ethylamino)-N-[(3-fluorophenyl)methyl]butanamide (CID 62838324) is N-cyclopropyl-3-(ethylamino)-N-[(3-fluorophenyl)methyl]butanamide.
What is the SMILES notation for N-cyclopropyl-3-(ethylamino)-N-[(3-fluorophenyl)methyl]butanamide?
The canonical SMILES for N-cyclopropyl-3-(ethylamino)-N-[(3-fluorophenyl)methyl]butanamide is CCNC(C)CC(=O)N(Cc1cccc(F)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-(ethylamino)-N-[(3-fluorophenyl)methyl]butanamide?
The InChIKey is ZMRWBMHXZJKVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-3-18-12(2)9-16(20)19(15-7-8-15)11-13-5-4-6-14(17)10-13/h4-6,10,12,15,18H,3,7-9,11H2,1-2H3.
What are the key properties of N-cyclopropyl-3-(ethylamino)-N-[(3-fluorophenyl)methyl]butanamide?
N-cyclopropyl-3-(ethylamino)-N-[(3-fluorophenyl)methyl]butanamide has a molecular weight of 278.37 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(ethylamino)-N-[(3-fluorophenyl)methyl]butanamide is sourced from PubChem (CID 62838324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).