6-bromo-N-[(2R)-2-(ethylamino)propyl]-4-methyl-2-oxochromene-3-carboxamide

C16H19BrN2O3 — CID 120653517

IUPAC6-bromo-N-[(2R)-2-(ethylamino)propyl]-4-methyl-2-oxochromene-3-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1c(C)c2cc(Br)ccc2oc1=O
InChIInChI=1S/C16H19BrN2O3/c1-4-18-9(2)8-19-15(20)14-10(3)12-7-11(17)5-6-13(12)22-16(14)21/h5-7,9,18H,4,8H2,1-3H3,(H,19,20)/t9-/m1/s1
InChIKeyPHNLQAZUIFXPHN-SECBINFHSA-N
MW367.24 g/mol
LogP2.59
Rot. Bonds5

About 6-bromo-N-[(2R)-2-(ethylamino)propyl]-4-methyl-2-oxochromene-3-carboxamide

6-bromo-N-[(2R)-2-(ethylamino)propyl]-4-methyl-2-oxochromene-3-carboxamide (PubChem CID 120653517) has the molecular formula C16H19BrN2O3 and a molecular weight of 367.24 g/mol. Its IUPAC name is 6-bromo-N-[(2R)-2-(ethylamino)propyl]-4-methyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(2R)-2-(ethylamino)propyl]-4-methyl-2-oxochromene-3-carboxamide
PubChem CID120653517
Molecular FormulaC16H19BrN2O3
Molecular Weight367.24 g/mol
Exact Mass366.06
IUPAC Name6-bromo-N-[(2R)-2-(ethylamino)propyl]-4-methyl-2-oxochromene-3-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1c(C)c2cc(Br)ccc2oc1=O
InChIInChI=1S/C16H19BrN2O3/c1-4-18-9(2)8-19-15(20)14-10(3)12-7-11(17)5-6-13(12)22-16(14)21/h5-7,9,18H,4,8H2,1-3H3,(H,19,20)/t9-/m1/s1
InChIKeyPHNLQAZUIFXPHN-SECBINFHSA-N
XLogP2.59
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 52.59
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

N-(3-amino-2-methylpropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
CID 119997583
N-(3-aminopropyl)-6-bromo-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
CID 119407472
6-bromo-4-methyl-2-oxochromene-3-carboxylic acid
CID 56650009
5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide
CID 120652977
4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide
CID 120650065
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-6-bromo-4-methylchromen-2-one
CID 119519398
2-[(6-bromo-4-hydroxy-2-oxochromene-3-carbonyl)amino]acetic acid
CID 54746540
7-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylquinoline-4-carboxamide;dihydrochloride
CID 120651332
N-[(2R)-2-(ethylamino)propyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 120650740
6-bromo-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]chromen-2-one
CID 119491505
N-(3-hydroxybutyl)-4-methyl-2-oxochromene-3-carboxamide
CID 111840756
5-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 79246940

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2R)-2-(ethylamino)propyl]-4-methyl-2-oxochromene-3-carboxamide?
The IUPAC name of 6-bromo-N-[(2R)-2-(ethylamino)propyl]-4-methyl-2-oxochromene-3-carboxamide (CID 120653517) is 6-bromo-N-[(2R)-2-(ethylamino)propyl]-4-methyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[(2R)-2-(ethylamino)propyl]-4-methyl-2-oxochromene-3-carboxamide?
The canonical SMILES for 6-bromo-N-[(2R)-2-(ethylamino)propyl]-4-methyl-2-oxochromene-3-carboxamide is CCN[C@H](C)CNC(=O)c1c(C)c2cc(Br)ccc2oc1=O.
What is the InChIKey of 6-bromo-N-[(2R)-2-(ethylamino)propyl]-4-methyl-2-oxochromene-3-carboxamide?
The InChIKey is PHNLQAZUIFXPHN-SECBINFHSA-N. The full InChI is InChI=1S/C16H19BrN2O3/c1-4-18-9(2)8-19-15(20)14-10(3)12-7-11(17)5-6-13(12)22-16(14)21/h5-7,9,18H,4,8H2,1-3H3,(H,19,20)/t9-/m1/s1.
What are the key properties of 6-bromo-N-[(2R)-2-(ethylamino)propyl]-4-methyl-2-oxochromene-3-carboxamide?
6-bromo-N-[(2R)-2-(ethylamino)propyl]-4-methyl-2-oxochromene-3-carboxamide has a molecular weight of 367.24 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2R)-2-(ethylamino)propyl]-4-methyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 120653517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).