2-[(4-bromo-2-chlorophenyl)methyl-propan-2-ylamino]acetamide

C12H16BrClN2O — CID 48935476

IUPAC2-[(4-bromo-2-chlorophenyl)methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2O/c1-8(2)16(7-12(15)17)6-9-3-4-10(13)5-11(9)14/h3-5,8H,6-7H2,1-2H3,(H2,15,17)
InChIKeyOFHVUTTWMAPZHM-UHFFFAOYSA-N
MW319.63 g/mol
LogP2.80
Rot. Bonds5

About 2-[(4-bromo-2-chlorophenyl)methyl-propan-2-ylamino]acetamide

2-[(4-bromo-2-chlorophenyl)methyl-propan-2-ylamino]acetamide (PubChem CID 48935476) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is 2-[(4-bromo-2-chlorophenyl)methyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(4-bromo-2-chlorophenyl)methyl-propan-2-ylamino]acetamide
PubChem CID48935476
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name2-[(4-bromo-2-chlorophenyl)methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2O/c1-8(2)16(7-12(15)17)6-9-3-4-10(13)5-11(9)14/h3-5,8H,6-7H2,1-2H3,(H2,15,17)
InChIKeyOFHVUTTWMAPZHM-UHFFFAOYSA-N
XLogP2.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-2-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 113471342
2-[(3-bromophenyl)methyl-propan-2-ylamino]acetamide
CID 56810079
2-[(2-amino-5-chlorophenyl)methyl-propan-2-ylamino]acetamide
CID 79582552
3-[(4-bromo-2-chlorophenyl)methyl-ethylamino]butanoic acid
CID 113471092
2-[(3-amino-4-chlorophenyl)methyl-propan-2-ylamino]acetamide
CID 54988874
3-[(4-bromo-2-chlorophenyl)methyl-methylamino]-2-methylpropanethioamide
CID 113470998
methyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-propan-2-ylamino]acetate
CID 102662967
N-[(4-bromo-2-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 115598263
2-(4-bromo-2-chloro-N-methylsulfonylanilino)acetamide
CID 50893257
2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 17411275
3-[[(2-amino-2-oxoethyl)-propan-2-ylamino]methyl]-4-fluorobenzoic acid
CID 107452238
2-[(2-amino-2-oxoethyl)-[(2-chloro-4-methylphenyl)methyl]amino]acetic acid
CID 107440608

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-chlorophenyl)methyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(4-bromo-2-chlorophenyl)methyl-propan-2-ylamino]acetamide (CID 48935476) is 2-[(4-bromo-2-chlorophenyl)methyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(4-bromo-2-chlorophenyl)methyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(4-bromo-2-chlorophenyl)methyl-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)Cc1ccc(Br)cc1Cl.
What is the InChIKey of 2-[(4-bromo-2-chlorophenyl)methyl-propan-2-ylamino]acetamide?
The InChIKey is OFHVUTTWMAPZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O/c1-8(2)16(7-12(15)17)6-9-3-4-10(13)5-11(9)14/h3-5,8H,6-7H2,1-2H3,(H2,15,17).
What are the key properties of 2-[(4-bromo-2-chlorophenyl)methyl-propan-2-ylamino]acetamide?
2-[(4-bromo-2-chlorophenyl)methyl-propan-2-ylamino]acetamide has a molecular weight of 319.63 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-chlorophenyl)methyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 48935476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).