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

C16H14ClNO2 — CID 110751510

IUPAC4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide
SMILESO=C(NC1COc2ccccc2C1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO2/c17-13-7-5-11(6-8-13)16(19)18-14-9-12-3-1-2-4-15(12)20-10-14/h1-8,14H,9-10H2,(H,18,19)
InChIKeyOIWOXPYLFIEYFV-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.07
Rot. Bonds2

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

4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide (PubChem CID 110751510) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide
PubChem CID110751510
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide
SMILESO=C(NC1COc2ccccc2C1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO2/c17-13-7-5-11(6-8-13)16(19)18-14-9-12-3-1-2-4-15(12)20-10-14/h1-8,14H,9-10H2,(H,18,19)
InChIKeyOIWOXPYLFIEYFV-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
N-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide
CID 110751024
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 94466647
N-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide
CID 110751511
4-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)butanamide
CID 87017830
4-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 110751613
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 126446922
N-(3,4-dihydro-2H-chromen-3-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 154758238
2-[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2-methoxyphenoxy]acetic acid
CID 97233703
1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
CID 46357538
3-amino-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]pyrazine-2-carboxamide
CID 94066552
3-amino-N-(3,4-dihydro-2H-chromen-3-yl)pyrazine-2-carboxamide
CID 102556079

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide?
The IUPAC name of 4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide (CID 110751510) is 4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide?
The canonical SMILES for 4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide is O=C(NC1COc2ccccc2C1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide?
The InChIKey is OIWOXPYLFIEYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-13-7-5-11(6-8-13)16(19)18-14-9-12-3-1-2-4-15(12)20-10-14/h1-8,14H,9-10H2,(H,18,19).
What are the key properties of 4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide?
4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide has a molecular weight of 287.75 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide is sourced from PubChem (CID 110751510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).