methyl N-[2-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate

C14H18ClFN2O3 — CID 75476390

IUPACmethyl N-[2-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)NC(c1ccc(Cl)cc1F)C(C)C
InChIInChI=1S/C14H18ClFN2O3/c1-8(2)13(10-5-4-9(15)6-11(10)16)18-12(19)7-17-14(20)21-3/h4-6,8,13H,7H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyNFFRXNNSEWVIBU-UHFFFAOYSA-N
MW316.76 g/mol
LogP2.65
Rot. Bonds5

About methyl N-[2-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate

methyl N-[2-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate (PubChem CID 75476390) has the molecular formula C14H18ClFN2O3 and a molecular weight of 316.76 g/mol. Its IUPAC name is methyl N-[2-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate
PubChem CID75476390
Molecular FormulaC14H18ClFN2O3
Molecular Weight316.76 g/mol
Exact Mass316.10
IUPAC Namemethyl N-[2-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)NC(c1ccc(Cl)cc1F)C(C)C
InChIInChI=1S/C14H18ClFN2O3/c1-8(2)13(10-5-4-9(15)6-11(10)16)18-12(19)7-17-14(20)21-3/h4-6,8,13H,7H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyNFFRXNNSEWVIBU-UHFFFAOYSA-N
XLogP2.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]acetamide
CID 75501534
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
methyl 3-(4-chloro-2-fluorophenyl)butanoate
CID 171372756
N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-2-oxo-1H-pyridine-4-carboxamide
CID 75519384
3-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119342170
tert-butyl N-[1-(4-chloro-2-fluorophenyl)-2-(3-chlorophenyl)-2-hydroxyethyl]carbamate
CID 123612353
methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 47129041
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

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate (CID 75476390) is methyl N-[2-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate is COC(=O)NCC(=O)NC(c1ccc(Cl)cc1F)C(C)C.
What is the InChIKey of methyl N-[2-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate?
The InChIKey is NFFRXNNSEWVIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O3/c1-8(2)13(10-5-4-9(15)6-11(10)16)18-12(19)7-17-14(20)21-3/h4-6,8,13H,7H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of methyl N-[2-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate?
methyl N-[2-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate has a molecular weight of 316.76 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 75476390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).