2-(4-bromoanilino)-N-(4-methyl-2-oxochromen-7-yl)acetamide

C18H15BrN2O3 — CID 134137216

IUPAC2-(4-bromoanilino)-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)CNc3ccc(Br)cc3)ccc12
InChIInChI=1S/C18H15BrN2O3/c1-11-8-18(23)24-16-9-14(6-7-15(11)16)21-17(22)10-20-13-4-2-12(19)3-5-13/h2-9,20H,10H2,1H3,(H,21,22)
InChIKeyFMLPVBZFRNQNDS-UHFFFAOYSA-N
MW387.23 g/mol
LogP3.91
Rot. Bonds4

About 2-(4-bromoanilino)-N-(4-methyl-2-oxochromen-7-yl)acetamide

2-(4-bromoanilino)-N-(4-methyl-2-oxochromen-7-yl)acetamide (PubChem CID 134137216) has the molecular formula C18H15BrN2O3 and a molecular weight of 387.23 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-(4-methyl-2-oxochromen-7-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-(4-methyl-2-oxochromen-7-yl)acetamide
PubChem CID134137216
Molecular FormulaC18H15BrN2O3
Molecular Weight387.23 g/mol
Exact Mass386.03
IUPAC Name2-(4-bromoanilino)-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)CNc3ccc(Br)cc3)ccc12
InChIInChI=1S/C18H15BrN2O3/c1-11-8-18(23)24-16-9-14(6-7-15(11)16)21-17(22)10-20-13-4-2-12(19)3-5-13/h2-9,20H,10H2,1H3,(H,21,22)
InChIKeyFMLPVBZFRNQNDS-UHFFFAOYSA-N
XLogP3.91
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2H-1-Benzopyran-2-one, 7-(ethylamino)-4-methyl-
CID 120061
(S)-6-acetamido-2-(2-((S)-2-acetamido-4-methylpentanamido)acetamido)-N-(4-methyl-2-oxo-2H-chromen-7-yl)hexanamide
CID 10460379
N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 927433
(S)-Benzyl (6-acetamido-1-((4-methyl-2-oxo-2H-chromen-7-yl)amino)-1-oxohexan-2-yl)carbamate
CID 10435243
4-[(6-bromo-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile
CID 118955582
N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-phenylpropanamide
CID 155169563
2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-phenylethyl)acetamide
CID 164804552
(2E)-N-(4-methyl-2-oxochromen-7-yl)-3-phenylprop-2-enamide
CID 1368233
2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 2113767
3-bromo-N-(4-methyl-2-oxo-1-benzopyran-7-yl)benzamide
CID 2675737
(E)-3-(3-fluorophenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide
CID 2675778
(E)-3-(4-fluorophenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide
CID 2675786

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-(4-methyl-2-oxochromen-7-yl)acetamide (CID 134137216) is 2-(4-bromoanilino)-N-(4-methyl-2-oxochromen-7-yl)acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-(4-methyl-2-oxochromen-7-yl)acetamide is Cc1cc(=O)oc2cc(NC(=O)CNc3ccc(Br)cc3)ccc12.
What is the InChIKey of 2-(4-bromoanilino)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The InChIKey is FMLPVBZFRNQNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3/c1-11-8-18(23)24-16-9-14(6-7-15(11)16)21-17(22)10-20-13-4-2-12(19)3-5-13/h2-9,20H,10H2,1H3,(H,21,22).
What are the key properties of 2-(4-bromoanilino)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
2-(4-bromoanilino)-N-(4-methyl-2-oxochromen-7-yl)acetamide has a molecular weight of 387.23 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-(4-methyl-2-oxochromen-7-yl)acetamide is sourced from PubChem (CID 134137216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).