3-amino-4-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide

C14H20BrN3O2 — CID 115597576

IUPAC3-amino-4-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide
SMILESCCN(CC)C(=O)C(C)NC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C14H20BrN3O2/c1-4-18(5-2)14(20)9(3)17-13(19)10-6-7-11(15)12(16)8-10/h6-9H,4-5,16H2,1-3H3,(H,17,19)
InChIKeyKFTMSMBWIMWTQG-UHFFFAOYSA-N
MW342.24 g/mol
LogP2.02
Rot. Bonds5

About 3-amino-4-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide

3-amino-4-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 115597576) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 3-amino-4-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide
PubChem CID115597576
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name3-amino-4-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide
SMILESCCN(CC)C(=O)C(C)NC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C14H20BrN3O2/c1-4-18(5-2)14(20)9(3)17-13(19)10-6-7-11(15)12(16)8-10/h6-9H,4-5,16H2,1-3H3,(H,17,19)
InChIKeyKFTMSMBWIMWTQG-UHFFFAOYSA-N
XLogP2.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.02
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

4-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide
CID 43697529
3-amino-4-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 103106417
N-[1-(diethylamino)-1-oxopropan-2-yl]-3-iodobenzamide
CID 54938221
3-amino-4-bromo-N-ethoxybenzamide
CID 107813148
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide
CID 103106395
2-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 114325735
2-[(3-amino-4-bromobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 107812985
2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-5-methoxybenzamide
CID 115412619
3-amino-4-bromo-N-(2-methylpropyl)benzamide
CID 39369897
3-amino-4-bromo-N-(1-phenylethyl)benzamide
CID 61090554
3-amino-4-bromo-N-(2-hydroxypropyl)benzamide
CID 61094213
3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211110

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3-amino-4-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide (CID 115597576) is 3-amino-4-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3-amino-4-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide is CCN(CC)C(=O)C(C)NC(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is KFTMSMBWIMWTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-4-18(5-2)14(20)9(3)17-13(19)10-6-7-11(15)12(16)8-10/h6-9H,4-5,16H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-4-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide?
3-amino-4-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 342.24 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 115597576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).