N-[(4-bromo-2-chlorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride

C10H13BrCl2N2O — CID 119753670

IUPACN-[(4-bromo-2-chlorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCc1ccc(Br)cc1Cl.Cl
InChIInChI=1S/C10H12BrClN2O.ClH/c1-13-6-10(15)14-5-7-2-3-8(11)4-9(7)12;/h2-4,13H,5-6H2,1H3,(H,14,15);1H
InChIKeyRSPDAPJLKWCIGM-UHFFFAOYSA-N
MW328.04 g/mol
LogP2.36
Rot. Bonds4

About N-[(4-bromo-2-chlorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride

N-[(4-bromo-2-chlorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119753670) has the molecular formula C10H13BrCl2N2O and a molecular weight of 328.04 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119753670
Molecular FormulaC10H13BrCl2N2O
Molecular Weight328.04 g/mol
Exact Mass325.96
IUPAC NameN-[(4-bromo-2-chlorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCc1ccc(Br)cc1Cl.Cl
InChIInChI=1S/C10H12BrClN2O.ClH/c1-13-6-10(15)14-5-7-2-3-8(11)4-9(7)12;/h2-4,13H,5-6H2,1H3,(H,14,15);1H
InChIKeyRSPDAPJLKWCIGM-UHFFFAOYSA-N
XLogP2.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.04
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-2-chlorophenyl)methyl]propanamide
CID 67191892
N-[(4-bromo-2-chlorophenyl)methyl]-3-phenylpropanamide
CID 47444968
1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-hydroxyethyl)urea
CID 110908184
N-[(2-bromo-4-fluorophenyl)methyl]-2-(methylamino)acetamide
CID 119739043
N-[(4-bromo-2-chlorophenyl)methyl]-4-tert-butylbenzamide
CID 171934642
2-amino-N-[(4-bromo-2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 119306106
1-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119306102
1-(4-bromo-2-chlorophenyl)-4-(methylamino)butan-2-one
CID 116561127
N-[(4-bromo-2-chlorophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 47444956
N-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119753695
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119735604
N-[(2-chloro-4-methylphenyl)methyl]acetamide
CID 91098777

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride (CID 119753670) is N-[(4-bromo-2-chlorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)NCc1ccc(Br)cc1Cl.Cl.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is RSPDAPJLKWCIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O.ClH/c1-13-6-10(15)14-5-7-2-3-8(11)4-9(7)12;/h2-4,13H,5-6H2,1H3,(H,14,15);1H.
What are the key properties of N-[(4-bromo-2-chlorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride?
N-[(4-bromo-2-chlorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 328.04 g/mol, XLogP of 2.36, 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-chlorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119753670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).