3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide

C14H19BrN2O2 — CID 47267566

IUPAC3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
SMILESCCN(CC)C(=O)CCNC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-3-17(4-2)13(18)8-9-16-14(19)11-6-5-7-12(15)10-11/h5-7,10H,3-4,8-9H2,1-2H3,(H,16,19)
InChIKeyNZQLDFPMFKKYBO-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.44
Rot. Bonds6

About 3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide

3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide (PubChem CID 47267566) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
PubChem CID47267566
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
SMILESCCN(CC)C(=O)CCNC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-3-17(4-2)13(18)8-9-16-14(19)11-6-5-7-12(15)10-11/h5-7,10H,3-4,8-9H2,1-2H3,(H,16,19)
InChIKeyNZQLDFPMFKKYBO-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 2941785
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2-amino-4-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
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3-bromo-N-dodecylbenzamide
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N-[3-(diethylamino)-3-oxopropyl]-4-sulfanylbenzamide
CID 107034718
N-[3-[benzyl(ethyl)amino]-3-oxopropyl]benzamide
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CID 61292893
3-bromo-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide
CID 51193380
3-bromo-N-(2-methylbutyl)benzamide
CID 62693100
2-[(3-bromobenzoyl)amino]ethyl carbamate
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3-bromo-N-(5-hydroxypentyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide?
The IUPAC name of 3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide (CID 47267566) is 3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide is CCN(CC)C(=O)CCNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide?
The InChIKey is NZQLDFPMFKKYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-3-17(4-2)13(18)8-9-16-14(19)11-6-5-7-12(15)10-11/h5-7,10H,3-4,8-9H2,1-2H3,(H,16,19).
What are the key properties of 3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide?
3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide has a molecular weight of 327.22 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 47267566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).