N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide

C20H22FNO — CID 78851901

IUPACN-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CN(C(=O)CCc2cccc(F)c2)C2CC2)c1
InChIInChI=1S/C20H22FNO/c1-15-4-2-6-17(12-15)14-22(19-9-10-19)20(23)11-8-16-5-3-7-18(21)13-16/h2-7,12-13,19H,8-11,14H2,1H3
InChIKeyMAJPYFSSKARTHB-UHFFFAOYSA-N
MW311.40 g/mol
LogP4.26
Rot. Bonds6

About N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide

N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 78851901) has the molecular formula C20H22FNO and a molecular weight of 311.40 g/mol. Its IUPAC name is N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
PubChem CID78851901
Molecular FormulaC20H22FNO
Molecular Weight311.40 g/mol
Exact Mass311.17
IUPAC NameN-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CN(C(=O)CCc2cccc(F)c2)C2CC2)c1
InChIInChI=1S/C20H22FNO/c1-15-4-2-6-17(12-15)14-22(19-9-10-19)20(23)11-8-16-5-3-7-18(21)13-16/h2-7,12-13,19H,8-11,14H2,1H3
InChIKeyMAJPYFSSKARTHB-UHFFFAOYSA-N
XLogP4.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-oxobutanamide
CID 54876800
5-bromo-N-cyclopropyl-N-[(3-methylphenyl)methyl]pentanamide
CID 107909347
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119715339
3-(tert-butylamino)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide
CID 60938458
3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-oxopropanoic acid
CID 55049064
N-ethyl-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
CID 62365720
2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide
CID 166407663
2-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 115580461
N-cyclopropyl-3-(ethylamino)-N-[(3-fluorophenyl)methyl]butanamide
CID 62838324
N-cyclopropyl-N-[(3-methylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 86925475
(E)-4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54875274
2-(4-aminophenyl)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride
CID 119715337

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide (CID 78851901) is N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide is Cc1cccc(CN(C(=O)CCc2cccc(F)c2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is MAJPYFSSKARTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO/c1-15-4-2-6-17(12-15)14-22(19-9-10-19)20(23)11-8-16-5-3-7-18(21)13-16/h2-7,12-13,19H,8-11,14H2,1H3.
What are the key properties of N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide?
N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 311.40 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 78851901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).