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

C19H19ClN2O3 — CID 17468818

IUPAC2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)NC1CCOc2ccccc21
InChIInChI=1S/C19H19ClN2O3/c20-15-7-3-1-5-13(15)19(24)21-11-9-18(23)22-16-10-12-25-17-8-4-2-6-14(16)17/h1-8,16H,9-12H2,(H,21,24)(H,22,23)
InChIKeyOHSHJOVLFYKTAG-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.10
Rot. Bonds5

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

2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide (PubChem CID 17468818) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide
PubChem CID17468818
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)NC1CCOc2ccccc21
InChIInChI=1S/C19H19ClN2O3/c20-15-7-3-1-5-13(15)19(24)21-11-9-18(23)22-16-10-12-25-17-8-4-2-6-14(16)17/h1-8,16H,9-12H2,(H,21,24)(H,22,23)
InChIKeyOHSHJOVLFYKTAG-UHFFFAOYSA-N
XLogP3.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide
CID 18164433
N-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 17394400
N-[2-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 9047848
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide
CID 51173221
3-(methylcarbamoylamino)-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]propanamide
CID 125143725
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2-amino-3-chlorobenzoate
CID 24531312
2-chloro-N-[3-[[(1R,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 7976258
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-sulfanylbenzamide
CID 107028267
2-chloro-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide
CID 47004575

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide (CID 17468818) is 2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1Cl)NC1CCOc2ccccc21.
What is the InChIKey of 2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide?
The InChIKey is OHSHJOVLFYKTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-15-7-3-1-5-13(15)19(24)21-11-9-18(23)22-16-10-12-25-17-8-4-2-6-14(16)17/h1-8,16H,9-12H2,(H,21,24)(H,22,23).
What are the key properties of 2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide?
2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide has a molecular weight of 358.83 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 17468818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).