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

C16H14ClNO2 — CID 18164397

IUPAC3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
SMILESO=C(NC1CCOc2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClNO2/c17-12-5-3-4-11(10-12)16(19)18-14-8-9-20-15-7-2-1-6-13(14)15/h1-7,10,14H,8-9H2,(H,18,19)
InChIKeyPECYFCSDKWXEQH-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.59
Rot. Bonds2

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

3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide (PubChem CID 18164397) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
PubChem CID18164397
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
SMILESO=C(NC1CCOc2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClNO2/c17-12-5-3-4-11(10-12)16(19)18-14-8-9-20-15-7-2-1-6-13(14)15/h1-7,10,14H,8-9H2,(H,18,19)
InChIKeyPECYFCSDKWXEQH-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide
CID 18193131
3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764672
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
4-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzamide
CID 115769510
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
CID 9091658
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide
CID 43709554
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(tetrazol-1-yl)benzamide
CID 39952228

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide?
The IUPAC name of 3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide (CID 18164397) is 3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide?
The canonical SMILES for 3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide is O=C(NC1CCOc2ccccc21)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide?
The InChIKey is PECYFCSDKWXEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-12-5-3-4-11(10-12)16(19)18-14-8-9-20-15-7-2-1-6-13(14)15/h1-7,10,14H,8-9H2,(H,18,19).
What are the key properties of 3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide?
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide has a molecular weight of 287.75 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide is sourced from PubChem (CID 18164397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).