N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide

C10H12BrClN2O — CID 62908403

IUPACN-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide
SMILESCNCCC(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C10H12BrClN2O/c1-13-5-4-10(15)14-9-6-7(11)2-3-8(9)12/h2-3,6,13H,4-5H2,1H3,(H,14,15)
InChIKeyZICGNLPORFWLGC-UHFFFAOYSA-N
MW291.58 g/mol
LogP2.65
Rot. Bonds4

About N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide

N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide (PubChem CID 62908403) has the molecular formula C10H12BrClN2O and a molecular weight of 291.58 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide
PubChem CID62908403
Molecular FormulaC10H12BrClN2O
Molecular Weight291.58 g/mol
Exact Mass289.98
IUPAC NameN-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide
SMILESCNCCC(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C10H12BrClN2O/c1-13-5-4-10(15)14-9-6-7(11)2-3-8(9)12/h2-3,6,13H,4-5H2,1H3,(H,14,15)
InChIKeyZICGNLPORFWLGC-UHFFFAOYSA-N
XLogP2.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.58
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-5-methylphenyl)-3-(methylamino)propanamide
CID 83628932
N-(5-bromo-2-chlorophenyl)-4-hydroxypentanamide
CID 79192467
N-(5-bromo-2-chlorophenyl)-5-hydroxypentanamide
CID 79198656
N-(5-bromo-2-chlorophenyl)-3-phenylpropanamide
CID 62908416
1-(5-bromo-2-chlorophenyl)-3-propylurea
CID 55027920
N-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide
CID 82707862
N-(2-chloro-5-methylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119705332
4-bromo-2-[4-(methylamino)butanoylamino]benzoic acid
CID 61160936
N-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide
CID 54925056
N-(5-bromo-2-chlorophenyl)-3-(furan-2-yl)propanamide
CID 62909114
N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
CID 119764217
1-(5-bromo-2-chlorophenyl)-3-ethylurea
CID 60981700

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide (CID 62908403) is N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide is CNCCC(=O)Nc1cc(Br)ccc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide?
The InChIKey is ZICGNLPORFWLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O/c1-13-5-4-10(15)14-9-6-7(11)2-3-8(9)12/h2-3,6,13H,4-5H2,1H3,(H,14,15).
What are the key properties of N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide?
N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide has a molecular weight of 291.58 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide is sourced from PubChem (CID 62908403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).