N'-(4-acetyl-2-bromophenyl)-2-chloroethanimidamide

C10H10BrClN2O — CID 169365573

IUPACN'-(4-acetyl-2-bromophenyl)-2-chloroethanimidamide
SMILESCC(=O)c1ccc(/N=C(/N)CCl)c(Br)c1
InChIInChI=1S/C10H10BrClN2O/c1-6(15)7-2-3-9(8(11)4-7)14-10(13)5-12/h2-4H,5H2,1H3,(H2,13,14)
InChIKeyYNMDZOTUKIUZLS-UHFFFAOYSA-N
MW289.56 g/mol
LogP2.88
Rot. Bonds3

About N'-(4-acetyl-2-bromophenyl)-2-chloroethanimidamide

N'-(4-acetyl-2-bromophenyl)-2-chloroethanimidamide (PubChem CID 169365573) has the molecular formula C10H10BrClN2O and a molecular weight of 289.56 g/mol. Its IUPAC name is N'-(4-acetyl-2-bromophenyl)-2-chloroethanimidamide.

Molecular Properties

Compound NameN'-(4-acetyl-2-bromophenyl)-2-chloroethanimidamide
PubChem CID169365573
Molecular FormulaC10H10BrClN2O
Molecular Weight289.56 g/mol
Exact Mass287.97
IUPAC NameN'-(4-acetyl-2-bromophenyl)-2-chloroethanimidamide
SMILESCC(=O)c1ccc(/N=C(/N)CCl)c(Br)c1
InChIInChI=1S/C10H10BrClN2O/c1-6(15)7-2-3-9(8(11)4-7)14-10(13)5-12/h2-4H,5H2,1H3,(H2,13,14)
InChIKeyYNMDZOTUKIUZLS-UHFFFAOYSA-N
XLogP2.88
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.56
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(4-acetyl-2-tert-butylphenyl)-2-chloroethanimidamide
CID 169366148
N'-(2-bromo-4-propan-2-ylphenyl)-2-chloroethanimidamide
CID 169365341
N'-(2-bromo-4-ethylphenyl)-2-chloroethanimidamide
CID 169365471
N'-(2-bromo-4-nitrophenyl)-2-chloroethanimidamide
CID 169365087
2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide
CID 169368149
4-[(1-amino-2-chloroethylidene)amino]-3-methoxybenzoic acid
CID 169365205
methyl 4-[(1-amino-2-chloroethylidene)amino]-3-methylbenzoate
CID 169364915
N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide
CID 169369563
3-[(1-amino-2-chloroethylidene)amino]-N,4-dimethylbenzamide
CID 169365893
4-[(1-amino-2-chloroethylidene)amino]-3-methyl-N-propylbenzamide
CID 169366016
N'-(4-bromo-2-cyanophenyl)-2-chloroethanimidamide
CID 169369696
2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide
CID 169365317

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetyl-2-bromophenyl)-2-chloroethanimidamide?
The IUPAC name of N'-(4-acetyl-2-bromophenyl)-2-chloroethanimidamide (CID 169365573) is N'-(4-acetyl-2-bromophenyl)-2-chloroethanimidamide.
What is the SMILES notation for N'-(4-acetyl-2-bromophenyl)-2-chloroethanimidamide?
The canonical SMILES for N'-(4-acetyl-2-bromophenyl)-2-chloroethanimidamide is CC(=O)c1ccc(/N=C(/N)CCl)c(Br)c1.
What is the InChIKey of N'-(4-acetyl-2-bromophenyl)-2-chloroethanimidamide?
The InChIKey is YNMDZOTUKIUZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O/c1-6(15)7-2-3-9(8(11)4-7)14-10(13)5-12/h2-4H,5H2,1H3,(H2,13,14).
What are the key properties of N'-(4-acetyl-2-bromophenyl)-2-chloroethanimidamide?
N'-(4-acetyl-2-bromophenyl)-2-chloroethanimidamide has a molecular weight of 289.56 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetyl-2-bromophenyl)-2-chloroethanimidamide is sourced from PubChem (CID 169365573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).