N-(tert-butylcarbamoyl)-2-(2-chloro-4-methylanilino)acetamide

C14H20ClN3O2 — CID 26507654

IUPACN-(tert-butylcarbamoyl)-2-(2-chloro-4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)NC(=O)NC(C)(C)C)c(Cl)c1
InChIInChI=1S/C14H20ClN3O2/c1-9-5-6-11(10(15)7-9)16-8-12(19)17-13(20)18-14(2,3)4/h5-7,16H,8H2,1-4H3,(H2,17,18,19,20)
InChIKeyBCGPBPBYXRGEKL-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.68
Rot. Bonds3

About N-(tert-butylcarbamoyl)-2-(2-chloro-4-methylanilino)acetamide

N-(tert-butylcarbamoyl)-2-(2-chloro-4-methylanilino)acetamide (PubChem CID 26507654) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-(2-chloro-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-(2-chloro-4-methylanilino)acetamide
PubChem CID26507654
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-(tert-butylcarbamoyl)-2-(2-chloro-4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)NC(=O)NC(C)(C)C)c(Cl)c1
InChIInChI=1S/C14H20ClN3O2/c1-9-5-6-11(10(15)7-9)16-8-12(19)17-13(20)18-14(2,3)4/h5-7,16H,8H2,1-4H3,(H2,17,18,19,20)
InChIKeyBCGPBPBYXRGEKL-UHFFFAOYSA-N
XLogP2.68
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(tert-butylcarbamoyl)-2-(3-chloro-2-methylanilino)acetamide
CID 26507318
N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079630
2-(2-chloro-4-methylanilino)-N-(3,5-difluorophenyl)acetamide
CID 42026444
2-(2-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9099362
2-(2-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 26417831
N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide
CID 133389417
N-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079599
methyl 3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 9104381
N-(tert-butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 5155672
N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-methylanilino)acetamide
CID 16553113
2-(2-acetylanilino)-N-(tert-butylcarbamoyl)acetamide
CID 26526540
2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263865

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-(2-chloro-4-methylanilino)acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-(2-chloro-4-methylanilino)acetamide (CID 26507654) is N-(tert-butylcarbamoyl)-2-(2-chloro-4-methylanilino)acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-(2-chloro-4-methylanilino)acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-(2-chloro-4-methylanilino)acetamide is Cc1ccc(NCC(=O)NC(=O)NC(C)(C)C)c(Cl)c1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-(2-chloro-4-methylanilino)acetamide?
The InChIKey is BCGPBPBYXRGEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-9-5-6-11(10(15)7-9)16-8-12(19)17-13(20)18-14(2,3)4/h5-7,16H,8H2,1-4H3,(H2,17,18,19,20).
What are the key properties of N-(tert-butylcarbamoyl)-2-(2-chloro-4-methylanilino)acetamide?
N-(tert-butylcarbamoyl)-2-(2-chloro-4-methylanilino)acetamide has a molecular weight of 297.79 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-(2-chloro-4-methylanilino)acetamide is sourced from PubChem (CID 26507654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).