3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide

C17H16BrNO3 — CID 8819799

IUPAC3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1Br
InChIInChI=1S/C17H16BrNO3/c1-21-16-7-6-11(10-13(16)18)17(20)19-14-8-9-22-15-5-3-2-4-12(14)15/h2-7,10,14H,8-9H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyFWBHYKIWHNZFEH-AWEZNQCLSA-N
MW362.22 g/mol
LogP3.71
Rot. Bonds3

About 3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide

3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide (PubChem CID 8819799) has the molecular formula C17H16BrNO3 and a molecular weight of 362.22 g/mol. Its IUPAC name is 3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide
PubChem CID8819799
Molecular FormulaC17H16BrNO3
Molecular Weight362.22 g/mol
Exact Mass361.03
IUPAC Name3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1Br
InChIInChI=1S/C17H16BrNO3/c1-21-16-7-6-11(10-13(16)18)17(20)19-14-8-9-22-15-5-3-2-4-12(14)15/h2-7,10,14H,8-9H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyFWBHYKIWHNZFEH-AWEZNQCLSA-N
XLogP3.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide 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-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
CID 18115323
4-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzamide
CID 115769510
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 39958855
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397810
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 25417155
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 25417152
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide
CID 43709554
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
CID 9091658
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide
CID 9091692
2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1,3-benzothiazole-6-carboxamide
CID 164875010
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide (CID 8819799) is 3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1Br.
What is the InChIKey of 3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide?
The InChIKey is FWBHYKIWHNZFEH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16BrNO3/c1-21-16-7-6-11(10-13(16)18)17(20)19-14-8-9-22-15-5-3-2-4-12(14)15/h2-7,10,14H,8-9H2,1H3,(H,19,20)/t14-/m0/s1.
What are the key properties of 3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide?
3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide has a molecular weight of 362.22 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide is sourced from PubChem (CID 8819799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).