2-(4-bromo-3-methylanilino)-N-carbamoylpropanamide

C11H14BrN3O2 — CID 17413409

IUPAC2-(4-bromo-3-methylanilino)-N-carbamoylpropanamide
SMILESCc1cc(NC(C)C(=O)NC(N)=O)ccc1Br
InChIInChI=1S/C11H14BrN3O2/c1-6-5-8(3-4-9(6)12)14-7(2)10(16)15-11(13)17/h3-5,7,14H,1-2H3,(H3,13,15,16,17)
InChIKeyUCTCVEWZOHNJOA-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.75
Rot. Bonds3

About 2-(4-bromo-3-methylanilino)-N-carbamoylpropanamide

2-(4-bromo-3-methylanilino)-N-carbamoylpropanamide (PubChem CID 17413409) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-(4-bromo-3-methylanilino)-N-carbamoylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylanilino)-N-carbamoylpropanamide
PubChem CID17413409
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2-(4-bromo-3-methylanilino)-N-carbamoylpropanamide
SMILESCc1cc(NC(C)C(=O)NC(N)=O)ccc1Br
InChIInChI=1S/C11H14BrN3O2/c1-6-5-8(3-4-9(6)12)14-7(2)10(16)15-11(13)17/h3-5,7,14H,1-2H3,(H3,13,15,16,17)
InChIKeyUCTCVEWZOHNJOA-UHFFFAOYSA-N
XLogP1.75
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide
CID 28835532
(2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide
CID 7043625
2-(4-bromo-3-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083553
N-carbamoyl-2-(4-methylsulfanylanilino)propanamide
CID 43086461
2-(2-bromoanilino)-N-carbamoylpropanamide
CID 43083796
(2R)-2-(4-bromo-3-methylanilino)-N-(5-chloro-2-pyridinyl)propanamide
CID 25392276
(2S)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 2571792
N-(4-bromo-3-methylphenyl)-2-hydroxypropanamide
CID 82132450
2-bromo-N-(4-bromo-3-methylphenyl)propanamide
CID 12708491
(2S)-2-(4-bromo-3-methylanilino)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 7831927
(2R)-N-carbamoyl-2-(dibenzofuran-2-ylamino)propanamide
CID 40954212
2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 46667035

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylanilino)-N-carbamoylpropanamide?
The IUPAC name of 2-(4-bromo-3-methylanilino)-N-carbamoylpropanamide (CID 17413409) is 2-(4-bromo-3-methylanilino)-N-carbamoylpropanamide.
What is the SMILES notation for 2-(4-bromo-3-methylanilino)-N-carbamoylpropanamide?
The canonical SMILES for 2-(4-bromo-3-methylanilino)-N-carbamoylpropanamide is Cc1cc(NC(C)C(=O)NC(N)=O)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylanilino)-N-carbamoylpropanamide?
The InChIKey is UCTCVEWZOHNJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-6-5-8(3-4-9(6)12)14-7(2)10(16)15-11(13)17/h3-5,7,14H,1-2H3,(H3,13,15,16,17).
What are the key properties of 2-(4-bromo-3-methylanilino)-N-carbamoylpropanamide?
2-(4-bromo-3-methylanilino)-N-carbamoylpropanamide has a molecular weight of 300.16 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylanilino)-N-carbamoylpropanamide is sourced from PubChem (CID 17413409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).