4-acetamido-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide

C18H17ClN2O3 — CID 60572091

IUPAC4-acetamido-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CCOc3c(Cl)cccc32)cc1
InChIInChI=1S/C18H17ClN2O3/c1-11(22)20-13-7-5-12(6-8-13)18(23)21-16-9-10-24-17-14(16)3-2-4-15(17)19/h2-8,16H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyHFUXZROORGCXQE-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.55
Rot. Bonds3

About 4-acetamido-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide

4-acetamido-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide (PubChem CID 60572091) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 4-acetamido-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
PubChem CID60572091
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name4-acetamido-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CCOc3c(Cl)cccc32)cc1
InChIInChI=1S/C18H17ClN2O3/c1-11(22)20-13-7-5-12(6-8-13)18(23)21-16-9-10-24-17-14(16)3-2-4-15(17)19/h2-8,16H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyHFUXZROORGCXQE-UHFFFAOYSA-N
XLogP3.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3,5-dinitrobenzamide
CID 60572063
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-hydroxybenzamide
CID 60572033
N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(methylamino)pyridine-4-carboxamide
CID 124882769
3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 39952245
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide
CID 119301911
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylazetidine-3-carboxamide
CID 128874525
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-(methylamino)propanamide
CID 119746250
trans-(1R,2R)-2-[[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119661
(2S)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(cyclopropylmethoxy)propanamide
CID 94809553
4-acetamido-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7688434
N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(ethylsulfonylamino)acetamide
CID 124588113
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methylquinoline-4-carboxamide
CID 60571804

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide?
The IUPAC name of 4-acetamido-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide (CID 60572091) is 4-acetamido-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide.
What is the SMILES notation for 4-acetamido-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide?
The canonical SMILES for 4-acetamido-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide is CC(=O)Nc1ccc(C(=O)NC2CCOc3c(Cl)cccc32)cc1.
What is the InChIKey of 4-acetamido-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide?
The InChIKey is HFUXZROORGCXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-11(22)20-13-7-5-12(6-8-13)18(23)21-16-9-10-24-17-14(16)3-2-4-15(17)19/h2-8,16H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-acetamido-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide?
4-acetamido-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide has a molecular weight of 344.80 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide is sourced from PubChem (CID 60572091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).