N-(4-bromo-2-methylphenyl)-2-methylbutanediamide

C12H15BrN2O2 — CID 82124667

IUPACN-(4-bromo-2-methylphenyl)-2-methylbutanediamide
SMILESCc1cc(Br)ccc1NC(=O)C(C)CC(N)=O
InChIInChI=1S/C12H15BrN2O2/c1-7-5-9(13)3-4-10(7)15-12(17)8(2)6-11(14)16/h3-5,8H,6H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyKOJXBBXRHFCPSW-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.21
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-2-methylbutanediamide

N-(4-bromo-2-methylphenyl)-2-methylbutanediamide (PubChem CID 82124667) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-methylbutanediamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-methylbutanediamide
PubChem CID82124667
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-(4-bromo-2-methylphenyl)-2-methylbutanediamide
SMILESCc1cc(Br)ccc1NC(=O)C(C)CC(N)=O
InChIInChI=1S/C12H15BrN2O2/c1-7-5-9(13)3-4-10(7)15-12(17)8(2)6-11(14)16/h3-5,8H,6H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyKOJXBBXRHFCPSW-UHFFFAOYSA-N
XLogP2.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-amino-2-[(4-bromo-2-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 107825654
(2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 884269
2-[(4-bromo-2-methylphenyl)carbamoyl]butanoic acid
CID 56986865
3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride
CID 119682559
3-(4-bromo-2-methylanilino)-2-methylpropanoic acid
CID 43538414
(2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide
CID 103793966
2-acetamido-N-(4-bromo-2-methylphenyl)propanamide
CID 78768995
3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide
CID 62669244
2-[(4-bromo-2-methylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 61181562
N-(4-bromo-2-methylphenyl)-2-(diethylamino)-2-phenylacetamide
CID 56538096
3-[(4-bromo-2-methylphenyl)carbamoylamino]propanoic acid
CID 61181043
1-(4-bromo-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437547

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-methylbutanediamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-methylbutanediamide (CID 82124667) is N-(4-bromo-2-methylphenyl)-2-methylbutanediamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-methylbutanediamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-methylbutanediamide is Cc1cc(Br)ccc1NC(=O)C(C)CC(N)=O.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-methylbutanediamide?
The InChIKey is KOJXBBXRHFCPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-7-5-9(13)3-4-10(7)15-12(17)8(2)6-11(14)16/h3-5,8H,6H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-methylbutanediamide?
N-(4-bromo-2-methylphenyl)-2-methylbutanediamide has a molecular weight of 299.17 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-methylbutanediamide is sourced from PubChem (CID 82124667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).