N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C15H21ClN2O2 — CID 42939063

IUPACN-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)NC(=O)C(C)(C)C
InChIInChI=1S/C15H21ClN2O2/c1-9-6-7-11(16)8-12(9)18-13(19)10(2)17-14(20)15(3,4)5/h6-8,10H,1-5H3,(H,17,20)(H,18,19)
InChIKeyBEAGOZIAOBOKIA-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.14
Rot. Bonds3

About N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide

N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 42939063) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
PubChem CID42939063
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)NC(=O)C(C)(C)C
InChIInChI=1S/C15H21ClN2O2/c1-9-6-7-11(16)8-12(9)18-13(19)10(2)17-14(20)15(3,4)5/h6-8,10H,1-5H3,(H,17,20)(H,18,19)
InChIKeyBEAGOZIAOBOKIA-UHFFFAOYSA-N
XLogP3.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 42939047
4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 46744939
(2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide
CID 94063637
(2R)-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate
CID 7679282
(2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide
CID 9431031
N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195653
N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750320
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 881396
ethyl 2-[(5-chloro-2-methylphenyl)carbamoyl]-3,3-dimethylbutanoate
CID 116537564
N-(5-chloro-2-methylphenyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 51333962
2-[(5-chloro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 61265931
3-amino-N-(5-chloro-2-methylphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119676324

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 42939063) is N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide is Cc1ccc(Cl)cc1NC(=O)C(C)NC(=O)C(C)(C)C.
What is the InChIKey of N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is BEAGOZIAOBOKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-9-6-7-11(16)8-12(9)18-13(19)10(2)17-14(20)15(3,4)5/h6-8,10H,1-5H3,(H,17,20)(H,18,19).
What are the key properties of N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 296.80 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 42939063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).