3-amino-5-bromo-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide

C15H22BrN3O2 — CID 107872306

IUPAC3-amino-5-bromo-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide
SMILESCCN(CC)C(=O)CCNC(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C15H22BrN3O2/c1-4-19(5-2)14(20)6-7-18-15(21)12-8-11(16)9-13(17)10(12)3/h8-9H,4-7,17H2,1-3H3,(H,18,21)
InChIKeyMSJWDVPNQQDXQQ-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.33
Rot. Bonds6

About 3-amino-5-bromo-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide

3-amino-5-bromo-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide (PubChem CID 107872306) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is 3-amino-5-bromo-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide
PubChem CID107872306
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Name3-amino-5-bromo-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide
SMILESCCN(CC)C(=O)CCNC(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C15H22BrN3O2/c1-4-19(5-2)14(20)6-7-18-15(21)12-8-11(16)9-13(17)10(12)3/h8-9H,4-7,17H2,1-3H3,(H,18,21)
InChIKeyMSJWDVPNQQDXQQ-UHFFFAOYSA-N
XLogP2.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
CID 79719377
3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide
CID 61102386
3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide
CID 107871969
3-amino-5-bromo-N-(3-ethoxypropyl)-2-methylbenzamide
CID 114011315
3-amino-5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbenzamide
CID 107872185
3-amino-5-bromo-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)benzamide
CID 107872322
3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 107872526
tert-butyl N-[3-[(3-amino-5-bromo-2-methylbenzoyl)amino]propyl]carbamate
CID 107873195
3-amino-5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107873229
3-amino-5-bromo-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 107872781
3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 107872467
3-amino-5-bromo-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 106289286

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide (CID 107872306) is 3-amino-5-bromo-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide is CCN(CC)C(=O)CCNC(=O)c1cc(Br)cc(N)c1C.
What is the InChIKey of 3-amino-5-bromo-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide?
The InChIKey is MSJWDVPNQQDXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-4-19(5-2)14(20)6-7-18-15(21)12-8-11(16)9-13(17)10(12)3/h8-9H,4-7,17H2,1-3H3,(H,18,21).
What are the key properties of 3-amino-5-bromo-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide?
3-amino-5-bromo-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide has a molecular weight of 356.26 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 107872306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).