3-(2-chloro-4-fluorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide

C20H21ClFNO3 — CID 55773167

IUPAC3-(2-chloro-4-fluorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(C(NC(=O)CCOc2ccc(F)cc2Cl)C2CC2)cc1
InChIInChI=1S/C20H21ClFNO3/c1-25-16-7-4-14(5-8-16)20(13-2-3-13)23-19(24)10-11-26-18-9-6-15(22)12-17(18)21/h4-9,12-13,20H,2-3,10-11H2,1H3,(H,23,24)
InChIKeyKEUDNZFZHMIZEP-UHFFFAOYSA-N
MW377.84 g/mol
LogP4.52
Rot. Bonds8

About 3-(2-chloro-4-fluorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide

3-(2-chloro-4-fluorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide (PubChem CID 55773167) has the molecular formula C20H21ClFNO3 and a molecular weight of 377.84 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide
PubChem CID55773167
Molecular FormulaC20H21ClFNO3
Molecular Weight377.84 g/mol
Exact Mass377.12
IUPAC Name3-(2-chloro-4-fluorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(C(NC(=O)CCOc2ccc(F)cc2Cl)C2CC2)cc1
InChIInChI=1S/C20H21ClFNO3/c1-25-16-7-4-14(5-8-16)20(13-2-3-13)23-19(24)10-11-26-18-9-6-15(22)12-17(18)21/h4-9,12-13,20H,2-3,10-11H2,1H3,(H,23,24)
InChIKeyKEUDNZFZHMIZEP-UHFFFAOYSA-N
XLogP4.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 51927573
2-(4-chloro-2-methylphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 55461093
N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide
CID 42925489
3-(2-chloro-4-fluorophenoxy)-N-(1-pyridin-4-ylethyl)propanamide
CID 87000643
N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide
CID 78829079
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2-methoxy-5-methylanilino)acetamide
CID 55540383
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 46539903
(3S)-3-acetamido-N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 51951548
(3S)-3-acetamido-N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 51951550
[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 55524114

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(2-chloro-4-fluorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide (CID 55773167) is 3-(2-chloro-4-fluorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2-chloro-4-fluorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(2-chloro-4-fluorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide is COc1ccc(C(NC(=O)CCOc2ccc(F)cc2Cl)C2CC2)cc1.
What is the InChIKey of 3-(2-chloro-4-fluorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide?
The InChIKey is KEUDNZFZHMIZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO3/c1-25-16-7-4-14(5-8-16)20(13-2-3-13)23-19(24)10-11-26-18-9-6-15(22)12-17(18)21/h4-9,12-13,20H,2-3,10-11H2,1H3,(H,23,24).
What are the key properties of 3-(2-chloro-4-fluorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide?
3-(2-chloro-4-fluorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide has a molecular weight of 377.84 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 55773167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).