2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide

C20H21ClFNO2 — CID 19119997

IUPAC2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N(Cc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C20H21ClFNO2/c21-17-7-3-15(4-8-17)12-20(24)23(14-19-2-1-11-25-19)13-16-5-9-18(22)10-6-16/h3-10,19H,1-2,11-14H2
InChIKeyJYUATMDJEGSVSN-UHFFFAOYSA-N
MW361.84 g/mol
LogP4.23
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide

2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 19119997) has the molecular formula C20H21ClFNO2 and a molecular weight of 361.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID19119997
Molecular FormulaC20H21ClFNO2
Molecular Weight361.84 g/mol
Exact Mass361.12
IUPAC Name2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N(Cc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C20H21ClFNO2/c21-17-7-3-15(4-8-17)12-20(24)23(14-19-2-1-11-25-19)13-16-5-9-18(22)10-6-16/h3-10,19H,1-2,11-14H2
InChIKeyJYUATMDJEGSVSN-UHFFFAOYSA-N
XLogP4.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.84
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44572003
4-(3-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44572103
4-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44572104
4-chloro-2,3-difluoro-N-(oxolan-2-ylmethyl)benzamide
CID 656136
N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-cyclopentyl-4-fluorobenzamide
CID 46059755
2-(2-chloro-6-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 2963110
N-{[1-(2-fluorobenzyl)-4-piperidinyl]methyl}-2-(4-fluorophenyl)-N-(tetrahydro-2-furanylmethyl)acetamide
CID 45169359
1-[2-(4-Chlorophenyl)pyrrolidinyl]-2-(2-fluorophenyl)ethan-1-one
CID 45924749
2-(4-Chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-YL]ethan-1-one
CID 50747018
1-[2-(4-Chlorophenyl)pyrrolidin-1-YL]-2-(3-fluorophenyl)ethan-1-one
CID 50747377
1-[2-(4-Chlorophenyl)pyrrolidin-1-YL]-2-(4-fluorophenyl)ethan-1-one
CID 50747387
3-[(2R,5S)-9-[(4-chlorophenyl)methyl]-1-oxa-9-azaspiro[4.5]decan-2-yl]-N,N-diethylpropanamide
CID 60160508

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide (CID 19119997) is 2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide is O=C(Cc1ccc(Cl)cc1)N(Cc1ccc(F)cc1)CC1CCCO1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is JYUATMDJEGSVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO2/c21-17-7-3-15(4-8-17)12-20(24)23(14-19-2-1-11-25-19)13-16-5-9-18(22)10-6-16/h3-10,19H,1-2,11-14H2.
What are the key properties of 2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 361.84 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 19119997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).