N-butyl-2-(4-chloro-2-methylanilino)-N-methylacetamide

C14H21ClN2O — CID 109006202

IUPACN-butyl-2-(4-chloro-2-methylanilino)-N-methylacetamide
SMILESCCCCN(C)C(=O)CNc1ccc(Cl)cc1C
InChIInChI=1S/C14H21ClN2O/c1-4-5-8-17(3)14(18)10-16-13-7-6-12(15)9-11(13)2/h6-7,9,16H,4-5,8,10H2,1-3H3
InChIKeyIZYZKDULGVPJRE-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.32
Rot. Bonds6

About N-butyl-2-(4-chloro-2-methylanilino)-N-methylacetamide

N-butyl-2-(4-chloro-2-methylanilino)-N-methylacetamide (PubChem CID 109006202) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-butyl-2-(4-chloro-2-methylanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-(4-chloro-2-methylanilino)-N-methylacetamide
PubChem CID109006202
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-butyl-2-(4-chloro-2-methylanilino)-N-methylacetamide
SMILESCCCCN(C)C(=O)CNc1ccc(Cl)cc1C
InChIInChI=1S/C14H21ClN2O/c1-4-5-8-17(3)14(18)10-16-13-7-6-12(15)9-11(13)2/h6-7,9,16H,4-5,8,10H2,1-3H3
InChIKeyIZYZKDULGVPJRE-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-3-(4-chloro-2-methylphenyl)-1-methylthiourea
CID 54185500
N-butyl-2-(4-chloro-2-methylanilino)acetamide
CID 108993148
3-(N-acetyl-4-chloro-2-methylanilino)-N-butyl-N-methylpropanamide
CID 113127871
N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide
CID 109288269
N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide
CID 78800713
ethyl 2-[[2-[butyl(methyl)amino]-2-oxoethyl]amino]benzoate
CID 109006261
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
N-butyl-N-methyl-2-[2-(trifluoromethyl)anilino]acetamide
CID 109006214
N-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide
CID 109005960
5-chloro-2-[[methyl(pentyl)carbamoyl]amino]benzoic acid
CID 61197584
2-(4-bromo-2-methylanilino)-N,N-dipropylacetamide
CID 109006671
4-[[2-(4-chloro-2-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 26507194

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-chloro-2-methylanilino)-N-methylacetamide?
The IUPAC name of N-butyl-2-(4-chloro-2-methylanilino)-N-methylacetamide (CID 109006202) is N-butyl-2-(4-chloro-2-methylanilino)-N-methylacetamide.
What is the SMILES notation for N-butyl-2-(4-chloro-2-methylanilino)-N-methylacetamide?
The canonical SMILES for N-butyl-2-(4-chloro-2-methylanilino)-N-methylacetamide is CCCCN(C)C(=O)CNc1ccc(Cl)cc1C.
What is the InChIKey of N-butyl-2-(4-chloro-2-methylanilino)-N-methylacetamide?
The InChIKey is IZYZKDULGVPJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-5-8-17(3)14(18)10-16-13-7-6-12(15)9-11(13)2/h6-7,9,16H,4-5,8,10H2,1-3H3.
What are the key properties of N-butyl-2-(4-chloro-2-methylanilino)-N-methylacetamide?
N-butyl-2-(4-chloro-2-methylanilino)-N-methylacetamide has a molecular weight of 268.79 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-chloro-2-methylanilino)-N-methylacetamide is sourced from PubChem (CID 109006202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).