3-bromo-5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]benzamide

C14H16BrClN2O2 — CID 103826611

IUPAC3-bromo-5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1cc(Cl)cc(Br)c1)NC1CC1
InChIInChI=1S/C14H16BrClN2O2/c15-10-6-9(7-11(16)8-10)14(20)17-5-1-2-13(19)18-12-3-4-12/h6-8,12H,1-5H2,(H,17,20)(H,18,19)
InChIKeyHPIQJEVVUJZRBW-UHFFFAOYSA-N
MW359.65 g/mol
LogP2.89
Rot. Bonds6

About 3-bromo-5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]benzamide

3-bromo-5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]benzamide (PubChem CID 103826611) has the molecular formula C14H16BrClN2O2 and a molecular weight of 359.65 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]benzamide
PubChem CID103826611
Molecular FormulaC14H16BrClN2O2
Molecular Weight359.65 g/mol
Exact Mass358.01
IUPAC Name3-bromo-5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1cc(Cl)cc(Br)c1)NC1CC1
InChIInChI=1S/C14H16BrClN2O2/c15-10-6-9(7-11(16)8-10)14(20)17-5-1-2-13(19)18-12-3-4-12/h6-8,12H,1-5H2,(H,17,20)(H,18,19)
InChIKeyHPIQJEVVUJZRBW-UHFFFAOYSA-N
XLogP2.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 52.89
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

3-bromo-5-chloro-N-cyclopropylbenzamide
CID 110406468
3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide
CID 107342962
N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide
CID 110609883
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
3-bromo-5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 113286150
6-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
CID 112731614
3-bromo-5-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 107939665
N-[4-(cyclopropylamino)-4-oxobutyl]-4-iodobenzamide
CID 112727989
3-bromo-5-chloro-N-hex-5-ynylbenzamide
CID 103827024
3-bromo-N-(2-butoxyethyl)-5-chlorobenzamide
CID 103826764
3-bromo-5-chloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 110411834
3-bromo-5-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 113286146

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]benzamide (CID 103826611) is 3-bromo-5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]benzamide is O=C(CCCNC(=O)c1cc(Cl)cc(Br)c1)NC1CC1.
What is the InChIKey of 3-bromo-5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]benzamide?
The InChIKey is HPIQJEVVUJZRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O2/c15-10-6-9(7-11(16)8-10)14(20)17-5-1-2-13(19)18-12-3-4-12/h6-8,12H,1-5H2,(H,17,20)(H,18,19).
What are the key properties of 3-bromo-5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]benzamide?
3-bromo-5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]benzamide has a molecular weight of 359.65 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]benzamide is sourced from PubChem (CID 103826611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).