5-bromo-2-chloro-N-[3-(cyclopropylamino)propyl]benzamide

C13H16BrClN2O — CID 43596539

IUPAC5-bromo-2-chloro-N-[3-(cyclopropylamino)propyl]benzamide
SMILESO=C(NCCCNC1CC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H16BrClN2O/c14-9-2-5-12(15)11(8-9)13(18)17-7-1-6-16-10-3-4-10/h2,5,8,10,16H,1,3-4,6-7H2,(H,17,18)
InChIKeyFYWRCGKXLYBQOU-UHFFFAOYSA-N
MW331.64 g/mol
LogP2.97
Rot. Bonds6

About 5-bromo-2-chloro-N-[3-(cyclopropylamino)propyl]benzamide

5-bromo-2-chloro-N-[3-(cyclopropylamino)propyl]benzamide (PubChem CID 43596539) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[3-(cyclopropylamino)propyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[3-(cyclopropylamino)propyl]benzamide
PubChem CID43596539
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC Name5-bromo-2-chloro-N-[3-(cyclopropylamino)propyl]benzamide
SMILESO=C(NCCCNC1CC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H16BrClN2O/c14-9-2-5-12(15)11(8-9)13(18)17-7-1-6-16-10-3-4-10/h2,5,8,10,16H,1,3-4,6-7H2,(H,17,18)
InChIKeyFYWRCGKXLYBQOU-UHFFFAOYSA-N
XLogP2.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[3-(cyclopropylamino)propyl]-2-iodobenzamide
CID 114032603
4-bromo-N-[3-(cyclopropylamino)propyl]-2-sulfanylbenzamide
CID 107024007
N-(3-aminopropyl)-5-bromo-2-chlorobenzamide
CID 43378819
5-bromo-2-chloro-N-(2-cycloheptylethyl)benzamide
CID 100537060
7-[(5-bromo-2-chlorobenzoyl)amino]heptanoic acid
CID 43240050
2-bromo-N-[3-(cyclopropylamino)propyl]-4-fluorobenzamide
CID 43596377
5-bromo-2-chloro-N-cyclopentylbenzamide
CID 2953820
5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 55659264
5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 38655696
3-bromo-N-[3-(cyclopropylamino)propyl]-5-fluorobenzamide
CID 43596337
5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide
CID 63316220
4-chloro-N-[3-(cyclopropylamino)propyl]benzamide
CID 43596460

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[3-(cyclopropylamino)propyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[3-(cyclopropylamino)propyl]benzamide (CID 43596539) is 5-bromo-2-chloro-N-[3-(cyclopropylamino)propyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[3-(cyclopropylamino)propyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[3-(cyclopropylamino)propyl]benzamide is O=C(NCCCNC1CC1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[3-(cyclopropylamino)propyl]benzamide?
The InChIKey is FYWRCGKXLYBQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c14-9-2-5-12(15)11(8-9)13(18)17-7-1-6-16-10-3-4-10/h2,5,8,10,16H,1,3-4,6-7H2,(H,17,18).
What are the key properties of 5-bromo-2-chloro-N-[3-(cyclopropylamino)propyl]benzamide?
5-bromo-2-chloro-N-[3-(cyclopropylamino)propyl]benzamide has a molecular weight of 331.64 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[3-(cyclopropylamino)propyl]benzamide is sourced from PubChem (CID 43596539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).