2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide

C14H21BrN2O — CID 60671753

IUPAC2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide
SMILESCc1cc(NCC(=O)NCCC(C)C)ccc1Br
InChIInChI=1S/C14H21BrN2O/c1-10(2)6-7-16-14(18)9-17-12-4-5-13(15)11(3)8-12/h4-5,8,10,17H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyKIYQBBZMSPGZEP-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.33
Rot. Bonds6

About 2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide

2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide (PubChem CID 60671753) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide
PubChem CID60671753
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide
SMILESCc1cc(NCC(=O)NCCC(C)C)ccc1Br
InChIInChI=1S/C14H21BrN2O/c1-10(2)6-7-16-14(18)9-17-12-4-5-13(15)11(3)8-12/h4-5,8,10,17H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyKIYQBBZMSPGZEP-UHFFFAOYSA-N
XLogP3.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide
CID 60671349
2-(4-bromo-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 26437601
2-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 26437572
4-bromo-3-methyl-N-(4-methylpentyl)aniline
CID 83155859
2-(3-ethylanilino)-N-(3-methylbutyl)acetamide
CID 60672205
2-(1-benzothiophen-5-ylamino)-N-(3-methylbutyl)acetamide
CID 61062685
2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide
CID 47117865
N-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide
CID 60672877
2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
CID 9099464
2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide
CID 39364243
2-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999310

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide (CID 60671753) is 2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide is Cc1cc(NCC(=O)NCCC(C)C)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide?
The InChIKey is KIYQBBZMSPGZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-10(2)6-7-16-14(18)9-17-12-4-5-13(15)11(3)8-12/h4-5,8,10,17H,6-7,9H2,1-3H3,(H,16,18).
What are the key properties of 2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide?
2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide has a molecular weight of 313.24 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 60671753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).