4-bromo-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide

C19H19BrN2O3 — CID 18164433

IUPAC4-bromo-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NC1CCOc2ccccc21
InChIInChI=1S/C19H19BrN2O3/c20-14-7-5-13(6-8-14)19(24)21-11-9-18(23)22-16-10-12-25-17-4-2-1-3-15(16)17/h1-8,16H,9-12H2,(H,21,24)(H,22,23)
InChIKeyMKXPZLPNUVBLCR-UHFFFAOYSA-N
MW403.28 g/mol
LogP3.21
Rot. Bonds5

About 4-bromo-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide

4-bromo-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide (PubChem CID 18164433) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is 4-bromo-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide
PubChem CID18164433
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC Name4-bromo-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NC1CCOc2ccccc21
InChIInChI=1S/C19H19BrN2O3/c20-14-7-5-13(6-8-14)19(24)21-11-9-18(23)22-16-10-12-25-17-4-2-1-3-15(16)17/h1-8,16H,9-12H2,(H,21,24)(H,22,23)
InChIKeyMKXPZLPNUVBLCR-UHFFFAOYSA-N
XLogP3.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide
CID 17468818
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
3-(methylcarbamoylamino)-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]propanamide
CID 125143725
N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 18164395
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxyethyl)urea
CID 97083391
4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide
CID 24635141
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
4-(2-acetamidoethyl)-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 47014206
N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 18096155
N-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 17394400

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide (CID 18164433) is 4-bromo-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)NC1CCOc2ccccc21.
What is the InChIKey of 4-bromo-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide?
The InChIKey is MKXPZLPNUVBLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c20-14-7-5-13(6-8-14)19(24)21-11-9-18(23)22-16-10-12-25-17-4-2-1-3-15(16)17/h1-8,16H,9-12H2,(H,21,24)(H,22,23).
What are the key properties of 4-bromo-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide?
4-bromo-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide has a molecular weight of 403.28 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 18164433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).