2,3-diamino-3-[4-[(2-bromophenyl)methyl]phenyl]-2-methylpropanamide

C17H20BrN3O — CID 174352812

IUPAC2,3-diamino-3-[4-[(2-bromophenyl)methyl]phenyl]-2-methylpropanamide
SMILESCC(N)(C(N)=O)C(N)c1ccc(Cc2ccccc2Br)cc1
InChIInChI=1S/C17H20BrN3O/c1-17(21,16(20)22)15(19)12-8-6-11(7-9-12)10-13-4-2-3-5-14(13)18/h2-9,15H,10,19,21H2,1H3,(H2,20,22)
InChIKeyNMGOUBXVOAGLCY-UHFFFAOYSA-N
MW362.27 g/mol
LogP2.24
Rot. Bonds5

About 2,3-diamino-3-[4-[(2-bromophenyl)methyl]phenyl]-2-methylpropanamide

2,3-diamino-3-[4-[(2-bromophenyl)methyl]phenyl]-2-methylpropanamide (PubChem CID 174352812) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is 2,3-diamino-3-[4-[(2-bromophenyl)methyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2,3-diamino-3-[4-[(2-bromophenyl)methyl]phenyl]-2-methylpropanamide
PubChem CID174352812
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name2,3-diamino-3-[4-[(2-bromophenyl)methyl]phenyl]-2-methylpropanamide
SMILESCC(N)(C(N)=O)C(N)c1ccc(Cc2ccccc2Br)cc1
InChIInChI=1S/C17H20BrN3O/c1-17(21,16(20)22)15(19)12-8-6-11(7-9-12)10-13-4-2-3-5-14(13)18/h2-9,15H,10,19,21H2,1H3,(H2,20,22)
InChIKeyNMGOUBXVOAGLCY-UHFFFAOYSA-N
XLogP2.24
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-bromophenyl)methyl]benzoic acid
CID 116927223
1-bromo-2-[(4-tert-butylphenyl)methyl]benzene
CID 171716628
(2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid
CID 24999684
1-(2-bromophenyl)-3,3-dimethylbutan-2-one
CID 59617524
2-amino-3-(2-bromophenyl)-2-methylpropanoic acid
CID 53401931
2-amino-3-(2-bromophenyl)propanamide
CID 15926062
1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 18412167
1-amino-1-(4-benzylphenyl)butan-2-one
CID 174899338
(2-bromophenyl)methyl 3-amino-2,3-dimethylbutanoate
CID 102132563
2-(2-bromophenyl)acetyl bromide
CID 87290551
2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine
CID 63419920
4-amino-1-(2-bromophenyl)-5-methylhexan-2-one
CID 116606255

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-3-[4-[(2-bromophenyl)methyl]phenyl]-2-methylpropanamide?
The IUPAC name of 2,3-diamino-3-[4-[(2-bromophenyl)methyl]phenyl]-2-methylpropanamide (CID 174352812) is 2,3-diamino-3-[4-[(2-bromophenyl)methyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for 2,3-diamino-3-[4-[(2-bromophenyl)methyl]phenyl]-2-methylpropanamide?
The canonical SMILES for 2,3-diamino-3-[4-[(2-bromophenyl)methyl]phenyl]-2-methylpropanamide is CC(N)(C(N)=O)C(N)c1ccc(Cc2ccccc2Br)cc1.
What is the InChIKey of 2,3-diamino-3-[4-[(2-bromophenyl)methyl]phenyl]-2-methylpropanamide?
The InChIKey is NMGOUBXVOAGLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-17(21,16(20)22)15(19)12-8-6-11(7-9-12)10-13-4-2-3-5-14(13)18/h2-9,15H,10,19,21H2,1H3,(H2,20,22).
What are the key properties of 2,3-diamino-3-[4-[(2-bromophenyl)methyl]phenyl]-2-methylpropanamide?
2,3-diamino-3-[4-[(2-bromophenyl)methyl]phenyl]-2-methylpropanamide has a molecular weight of 362.27 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-3-[4-[(2-bromophenyl)methyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 174352812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).