2-(3,4-difluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxamide

C20H21F2NO2 — CID 86941664

IUPAC2-(3,4-difluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxamide
SMILESCOc1cccc(CC(C)NC(=O)C2CC2c2ccc(F)c(F)c2)c1
InChIInChI=1S/C20H21F2NO2/c1-12(8-13-4-3-5-15(9-13)25-2)23-20(24)17-11-16(17)14-6-7-18(21)19(22)10-14/h3-7,9-10,12,16-17H,8,11H2,1-2H3,(H,23,24)
InChIKeyZKHJMBNXSPDNKE-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.82
Rot. Bonds6

About 2-(3,4-difluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxamide

2-(3,4-difluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxamide (PubChem CID 86941664) has the molecular formula C20H21F2NO2 and a molecular weight of 345.39 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxamide
PubChem CID86941664
Molecular FormulaC20H21F2NO2
Molecular Weight345.39 g/mol
Exact Mass345.15
IUPAC Name2-(3,4-difluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxamide
SMILESCOc1cccc(CC(C)NC(=O)C2CC2c2ccc(F)c(F)c2)c1
InChIInChI=1S/C20H21F2NO2/c1-12(8-13-4-3-5-15(9-13)25-2)23-20(24)17-11-16(17)14-6-7-18(21)19(22)10-14/h3-7,9-10,12,16-17H,8,11H2,1-2H3,(H,23,24)
InChIKeyZKHJMBNXSPDNKE-UHFFFAOYSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943626
1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943088
(2R)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid
CID 119367456
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
trans-(1R,2R)-2-[[(2R)-1-(6-methoxynaphthalen-2-yl)propan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 167774325
(2S,3S)-2-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylpentanoic acid
CID 97324073
2-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide
CID 120831797
trans-(1S,2S)-2-(3,4-difluorophenyl)-N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 99805849
2-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 120831796
N-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide
CID 96532473
2-(2-hydroxyphenyl)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96532447
2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide
CID 109479076

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxamide (CID 86941664) is 2-(3,4-difluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxamide is COc1cccc(CC(C)NC(=O)C2CC2c2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is ZKHJMBNXSPDNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO2/c1-12(8-13-4-3-5-15(9-13)25-2)23-20(24)17-11-16(17)14-6-7-18(21)19(22)10-14/h3-7,9-10,12,16-17H,8,11H2,1-2H3,(H,23,24).
What are the key properties of 2-(3,4-difluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxamide?
2-(3,4-difluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 345.39 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 86941664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).