2-acetamido-N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]acetamide

C14H18ClFN2O2 — CID 75501534

IUPAC2-acetamido-N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]acetamide
SMILESCC(=O)NCC(=O)NC(c1ccc(Cl)cc1F)C(C)C
InChIInChI=1S/C14H18ClFN2O2/c1-8(2)14(18-13(20)7-17-9(3)19)11-5-4-10(15)6-12(11)16/h4-6,8,14H,7H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyCYGWFMKMEQHXGM-UHFFFAOYSA-N
MW300.76 g/mol
LogP2.43
Rot. Bonds5

About 2-acetamido-N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]acetamide

2-acetamido-N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]acetamide (PubChem CID 75501534) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 2-acetamido-N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]acetamide
PubChem CID75501534
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC Name2-acetamido-N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]acetamide
SMILESCC(=O)NCC(=O)NC(c1ccc(Cl)cc1F)C(C)C
InChIInChI=1S/C14H18ClFN2O2/c1-8(2)14(18-13(20)7-17-9(3)19)11-5-4-10(15)6-12(11)16/h4-6,8,14H,7H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyCYGWFMKMEQHXGM-UHFFFAOYSA-N
XLogP2.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[2-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate
CID 75476390
N-[(1S)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(R)-methylsulfinyl]propanamide
CID 99853452
2-[[(1S)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]amino]-2-oxoacetic acid
CID 99784125
3-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoic acid
CID 122009561
2-acetamido-N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]acetamide
CID 60559744
N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-2-oxo-1H-pyridine-4-carboxamide
CID 75519384
(3S)-3-acetamido-3-(4-chloro-2-fluorophenyl)propanoic acid
CID 104980082
3-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119342170
4-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]pentanamide;hydrochloride
CID 120563884
1-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122009563
(1S)-1-(4-chloro-2-fluorophenyl)-2-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]propan-1-amine
CID 99820749
1-[(1S)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
CID 124568534

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-acetamido-N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]acetamide (CID 75501534) is 2-acetamido-N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-acetamido-N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]acetamide is CC(=O)NCC(=O)NC(c1ccc(Cl)cc1F)C(C)C.
What is the InChIKey of 2-acetamido-N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]acetamide?
The InChIKey is CYGWFMKMEQHXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c1-8(2)14(18-13(20)7-17-9(3)19)11-5-4-10(15)6-12(11)16/h4-6,8,14H,7H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 2-acetamido-N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]acetamide?
2-acetamido-N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]acetamide has a molecular weight of 300.76 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 75501534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).