(2S)-2-[1-(2-chloro-6-fluorophenyl)ethylcarbamoylamino]-N,N-dimethylpropanamide

C14H19ClFN3O2 — CID 91662685

IUPAC(2S)-2-[1-(2-chloro-6-fluorophenyl)ethylcarbamoylamino]-N,N-dimethylpropanamide
SMILESCC(NC(=O)N[C@@H](C)C(=O)N(C)C)c1c(F)cccc1Cl
InChIInChI=1S/C14H19ClFN3O2/c1-8(12-10(15)6-5-7-11(12)16)17-14(21)18-9(2)13(20)19(3)4/h5-9H,1-4H3,(H2,17,18,21)/t8?,9-/m0/s1
InChIKeyNDHBIGOFXQMZKW-GKAPJAKFSA-N
MW315.78 g/mol
LogP2.32
Rot. Bonds4

About (2S)-2-[1-(2-chloro-6-fluorophenyl)ethylcarbamoylamino]-N,N-dimethylpropanamide

(2S)-2-[1-(2-chloro-6-fluorophenyl)ethylcarbamoylamino]-N,N-dimethylpropanamide (PubChem CID 91662685) has the molecular formula C14H19ClFN3O2 and a molecular weight of 315.78 g/mol. Its IUPAC name is (2S)-2-[1-(2-chloro-6-fluorophenyl)ethylcarbamoylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[1-(2-chloro-6-fluorophenyl)ethylcarbamoylamino]-N,N-dimethylpropanamide
PubChem CID91662685
Molecular FormulaC14H19ClFN3O2
Molecular Weight315.78 g/mol
Exact Mass315.11
IUPAC Name(2S)-2-[1-(2-chloro-6-fluorophenyl)ethylcarbamoylamino]-N,N-dimethylpropanamide
SMILESCC(NC(=O)N[C@@H](C)C(=O)N(C)C)c1c(F)cccc1Cl
InChIInChI=1S/C14H19ClFN3O2/c1-8(12-10(15)6-5-7-11(12)16)17-14(21)18-9(2)13(20)19(3)4/h5-9H,1-4H3,(H2,17,18,21)/t8?,9-/m0/s1
InChIKeyNDHBIGOFXQMZKW-GKAPJAKFSA-N
XLogP2.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-chloro-6-fluorophenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122004984
2-(2,6-difluoroanilino)-N,N-dimethylpropanamide
CID 43088763
(2R)-2-[[(R)-(3-fluorophenyl)-phenylmethyl]carbamoylamino]-N,N-dimethylpropanamide
CID 97050764
2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]pentanamide
CID 119343650
2,4-bis(2-chloro-6-fluorophenyl)pentan-3-one
CID 151106233
N-[1-(2-chloro-6-fluorophenyl)ethyl]-5-cyano-1-methylpyrrole-2-carboxamide
CID 74335094
2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]-2-methylpentanamide
CID 119818781
N-[1-(2-chloro-6-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119343651
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81378293
(2S)-2-[[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97088120
(2R)-2-[[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97088122
N-[1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 42910277

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(2-chloro-6-fluorophenyl)ethylcarbamoylamino]-N,N-dimethylpropanamide?
The IUPAC name of (2S)-2-[1-(2-chloro-6-fluorophenyl)ethylcarbamoylamino]-N,N-dimethylpropanamide (CID 91662685) is (2S)-2-[1-(2-chloro-6-fluorophenyl)ethylcarbamoylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-2-[1-(2-chloro-6-fluorophenyl)ethylcarbamoylamino]-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-2-[1-(2-chloro-6-fluorophenyl)ethylcarbamoylamino]-N,N-dimethylpropanamide is CC(NC(=O)N[C@@H](C)C(=O)N(C)C)c1c(F)cccc1Cl.
What is the InChIKey of (2S)-2-[1-(2-chloro-6-fluorophenyl)ethylcarbamoylamino]-N,N-dimethylpropanamide?
The InChIKey is NDHBIGOFXQMZKW-GKAPJAKFSA-N. The full InChI is InChI=1S/C14H19ClFN3O2/c1-8(12-10(15)6-5-7-11(12)16)17-14(21)18-9(2)13(20)19(3)4/h5-9H,1-4H3,(H2,17,18,21)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-[1-(2-chloro-6-fluorophenyl)ethylcarbamoylamino]-N,N-dimethylpropanamide?
(2S)-2-[1-(2-chloro-6-fluorophenyl)ethylcarbamoylamino]-N,N-dimethylpropanamide has a molecular weight of 315.78 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(2-chloro-6-fluorophenyl)ethylcarbamoylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 91662685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).