N-(3-aminopropyl)-5-bromo-2-chlorobenzamide

C10H12BrClN2O — CID 43378819

IUPACN-(3-aminopropyl)-5-bromo-2-chlorobenzamide
SMILESNCCCNC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C10H12BrClN2O/c11-7-2-3-9(12)8(6-7)10(15)14-5-1-4-13/h2-3,6H,1,4-5,13H2,(H,14,15)
InChIKeyMBVMXNMQIVGRSS-UHFFFAOYSA-N
MW291.58 g/mol
LogP2.18
Rot. Bonds4

About N-(3-aminopropyl)-5-bromo-2-chlorobenzamide

N-(3-aminopropyl)-5-bromo-2-chlorobenzamide (PubChem CID 43378819) has the molecular formula C10H12BrClN2O and a molecular weight of 291.58 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-bromo-2-chlorobenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-bromo-2-chlorobenzamide
PubChem CID43378819
Molecular FormulaC10H12BrClN2O
Molecular Weight291.58 g/mol
Exact Mass289.98
IUPAC NameN-(3-aminopropyl)-5-bromo-2-chlorobenzamide
SMILESNCCCNC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C10H12BrClN2O/c11-7-2-3-9(12)8(6-7)10(15)14-5-1-4-13/h2-3,6H,1,4-5,13H2,(H,14,15)
InChIKeyMBVMXNMQIVGRSS-UHFFFAOYSA-N
XLogP2.18
TPSA55.12 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 ≤ 52.18
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

N-(3-aminopropyl)-2,5-dibromobenzamide
CID 114368344
N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide
CID 104872204
7-[(5-bromo-2-chlorobenzoyl)amino]heptanoic acid
CID 43240050
5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 55659264
5-bromo-2-chloro-N-[3-(cyclopropylamino)propyl]benzamide
CID 43596539
5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503330
5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 42571761
N-(3-aminopropyl)-2-chloro-4,5-difluorobenzamide;hydrochloride
CID 119407529
5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 51155963
N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577
N-(2-amino-2-methylpropyl)-5-bromo-2-chlorobenzamide;hydrochloride
CID 119629541
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-bromo-2-chlorobenzamide?
The IUPAC name of N-(3-aminopropyl)-5-bromo-2-chlorobenzamide (CID 43378819) is N-(3-aminopropyl)-5-bromo-2-chlorobenzamide.
What is the SMILES notation for N-(3-aminopropyl)-5-bromo-2-chlorobenzamide?
The canonical SMILES for N-(3-aminopropyl)-5-bromo-2-chlorobenzamide is NCCCNC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of N-(3-aminopropyl)-5-bromo-2-chlorobenzamide?
The InChIKey is MBVMXNMQIVGRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O/c11-7-2-3-9(12)8(6-7)10(15)14-5-1-4-13/h2-3,6H,1,4-5,13H2,(H,14,15).
What are the key properties of N-(3-aminopropyl)-5-bromo-2-chlorobenzamide?
N-(3-aminopropyl)-5-bromo-2-chlorobenzamide has a molecular weight of 291.58 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-bromo-2-chlorobenzamide is sourced from PubChem (CID 43378819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).