2-[(2-bromobenzoyl)amino]-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide

C24H21BrN2O3 — CID 55394934

IUPAC2-[(2-bromobenzoyl)amino]-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCC1COc2ccccc2C1)c1ccccc1Br
InChIInChI=1S/C24H21BrN2O3/c25-20-10-4-2-8-18(20)24(29)27-21-11-5-3-9-19(21)23(28)26-14-16-13-17-7-1-6-12-22(17)30-15-16/h1-12,16H,13-15H2,(H,26,28)(H,27,29)
InChIKeyWTTPJQOESXQGPC-UHFFFAOYSA-N
MW465.35 g/mol
LogP4.68
Rot. Bonds5

About 2-[(2-bromobenzoyl)amino]-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide

2-[(2-bromobenzoyl)amino]-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide (PubChem CID 55394934) has the molecular formula C24H21BrN2O3 and a molecular weight of 465.35 g/mol. Its IUPAC name is 2-[(2-bromobenzoyl)amino]-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(2-bromobenzoyl)amino]-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide
PubChem CID55394934
Molecular FormulaC24H21BrN2O3
Molecular Weight465.35 g/mol
Exact Mass464.07
IUPAC Name2-[(2-bromobenzoyl)amino]-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCC1COc2ccccc2C1)c1ccccc1Br
InChIInChI=1S/C24H21BrN2O3/c25-20-10-4-2-8-18(20)24(29)27-21-11-5-3-9-19(21)23(28)26-14-16-13-17-7-1-6-12-22(17)30-15-16/h1-12,16H,13-15H2,(H,26,28)(H,27,29)
InChIKeyWTTPJQOESXQGPC-UHFFFAOYSA-N
XLogP4.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.35
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
5-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-fluorobenzamide
CID 51212142
4-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 47116194
4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-iodobenzamide
CID 43077937
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-ethoxyethoxy)benzamide
CID 72880928
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 40918040
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methylfuran-2-carboxamide
CID 51241210
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 97284274
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 29478544

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromobenzoyl)amino]-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide?
The IUPAC name of 2-[(2-bromobenzoyl)amino]-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide (CID 55394934) is 2-[(2-bromobenzoyl)amino]-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[(2-bromobenzoyl)amino]-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide?
The canonical SMILES for 2-[(2-bromobenzoyl)amino]-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide is O=C(Nc1ccccc1C(=O)NCC1COc2ccccc2C1)c1ccccc1Br.
What is the InChIKey of 2-[(2-bromobenzoyl)amino]-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide?
The InChIKey is WTTPJQOESXQGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2O3/c25-20-10-4-2-8-18(20)24(29)27-21-11-5-3-9-19(21)23(28)26-14-16-13-17-7-1-6-12-22(17)30-15-16/h1-12,16H,13-15H2,(H,26,28)(H,27,29).
What are the key properties of 2-[(2-bromobenzoyl)amino]-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide?
2-[(2-bromobenzoyl)amino]-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide has a molecular weight of 465.35 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromobenzoyl)amino]-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide is sourced from PubChem (CID 55394934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).