N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide

C15H22BrClN2O — CID 119606815

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide
SMILESCC(C)C(C)(CN)NC(=O)CCc1cc(Cl)ccc1Br
InChIInChI=1S/C15H22BrClN2O/c1-10(2)15(3,9-18)19-14(20)7-4-11-8-12(17)5-6-13(11)16/h5-6,8,10H,4,7,9,18H2,1-3H3,(H,19,20)
InChIKeyCARBNFVZIHNQRQ-UHFFFAOYSA-N
MW361.71 g/mol
LogP3.52
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide (PubChem CID 119606815) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide
PubChem CID119606815
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide
SMILESCC(C)C(C)(CN)NC(=O)CCc1cc(Cl)ccc1Br
InChIInChI=1S/C15H22BrClN2O/c1-10(2)15(3,9-18)19-14(20)7-4-11-8-12(17)5-6-13(11)16/h5-6,8,10H,4,7,9,18H2,1-3H3,(H,19,20)
InChIKeyCARBNFVZIHNQRQ-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide
CID 119522730
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dichlorophenyl)propanamide
CID 119608340
N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide
CID 119995419
N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride
CID 119995418
2-[3-(2-bromo-5-chlorophenyl)propanoylamino]butanoic acid
CID 120687050
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-bromophenyl)propanamide;hydrochloride
CID 119607381
N-(1-amino-2,3-dimethylbutan-2-yl)-5-chloro-2-methylbenzamide
CID 82882950
N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-5-chlorophenyl)propanamide
CID 119602349
3-(2-bromo-5-chlorophenyl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506421
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride
CID 119605461
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 119608263
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-bromo-4-nitrophenyl)acetamide;hydrochloride
CID 119606827

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide (CID 119606815) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide is CC(C)C(C)(CN)NC(=O)CCc1cc(Cl)ccc1Br.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide?
The InChIKey is CARBNFVZIHNQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2O/c1-10(2)15(3,9-18)19-14(20)7-4-11-8-12(17)5-6-13(11)16/h5-6,8,10H,4,7,9,18H2,1-3H3,(H,19,20).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide has a molecular weight of 361.71 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide is sourced from PubChem (CID 119606815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).