N-[(4-bromo-2-chlorophenyl)methyl]propanamide

C10H11BrClNO — CID 67191892

IUPACN-[(4-bromo-2-chlorophenyl)methyl]propanamide
SMILESCCC(=O)NCc1ccc(Br)cc1Cl
InChIInChI=1S/C10H11BrClNO/c1-2-10(14)13-6-7-3-4-8(11)5-9(7)12/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeySKTMSMSXQYVPHP-UHFFFAOYSA-N
MW276.56 g/mol
LogP3.13
Rot. Bonds3

About N-[(4-bromo-2-chlorophenyl)methyl]propanamide

N-[(4-bromo-2-chlorophenyl)methyl]propanamide (PubChem CID 67191892) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)methyl]propanamide
PubChem CID67191892
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC NameN-[(4-bromo-2-chlorophenyl)methyl]propanamide
SMILESCCC(=O)NCc1ccc(Br)cc1Cl
InChIInChI=1S/C10H11BrClNO/c1-2-10(14)13-6-7-3-4-8(11)5-9(7)12/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeySKTMSMSXQYVPHP-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-2-chlorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119753670
N-[(4-bromo-2-chlorophenyl)methyl]-3-phenylpropanamide
CID 47444968
1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-hydroxyethyl)urea
CID 110908184
N-[(4-bromo-2-chlorophenyl)methyl]-4-tert-butylbenzamide
CID 171934642
2-amino-N-[(4-bromo-2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 119306106
4-[(4-bromo-2-chlorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674132
N-[(4-bromo-2-chlorophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 47444956
2-[(4-bromo-2-chlorophenyl)methylamino]-N-propylpropanamide
CID 113242861
N-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119753695
1-[(4-bromo-2-chlorophenyl)methyl]-2-methyl-3-propylguanidine
CID 111228387
1-[(4-bromo-2-chlorophenyl)methyl]-2-methyl-3-propan-2-ylguanidine
CID 111125524
N-[(4-bromo-2-chlorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47446049

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]propanamide?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]propanamide (CID 67191892) is N-[(4-bromo-2-chlorophenyl)methyl]propanamide.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)methyl]propanamide?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)methyl]propanamide is CCC(=O)NCc1ccc(Br)cc1Cl.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)methyl]propanamide?
The InChIKey is SKTMSMSXQYVPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c1-2-10(14)13-6-7-3-4-8(11)5-9(7)12/h3-5H,2,6H2,1H3,(H,13,14).
What are the key properties of N-[(4-bromo-2-chlorophenyl)methyl]propanamide?
N-[(4-bromo-2-chlorophenyl)methyl]propanamide has a molecular weight of 276.56 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 67191892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).