6-bromo-2-(3-methylphenyl)iminochromene-3-carboxamide

C17H13BrN2O2 — CID 4012007

IUPAC6-bromo-2-(3-methylphenyl)iminochromene-3-carboxamide
SMILESCc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(N)=O)c1
InChIInChI=1S/C17H13BrN2O2/c1-10-3-2-4-13(7-10)20-17-14(16(19)21)9-11-8-12(18)5-6-15(11)22-17/h2-9H,1H3,(H2,19,21)/b20-17-
InChIKeyUUTRWDKLSHWBKS-JZJYNLBNSA-N
MW357.21 g/mol
LogP3.84
Rot. Bonds2

About 6-bromo-2-(3-methylphenyl)iminochromene-3-carboxamide

6-bromo-2-(3-methylphenyl)iminochromene-3-carboxamide (PubChem CID 4012007) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is 6-bromo-2-(3-methylphenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-(3-methylphenyl)iminochromene-3-carboxamide
PubChem CID4012007
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC Name6-bromo-2-(3-methylphenyl)iminochromene-3-carboxamide
SMILESCc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(N)=O)c1
InChIInChI=1S/C17H13BrN2O2/c1-10-3-2-4-13(7-10)20-17-14(16(19)21)9-11-8-12(18)5-6-15(11)22-17/h2-9H,1H3,(H2,19,21)/b20-17-
InChIKeyUUTRWDKLSHWBKS-JZJYNLBNSA-N
XLogP3.84
TPSA68.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-phenyliminochromene-3-carboxamide
CID 747316
2-(4-acetylphenyl)imino-6-bromochromene-3-carboxamide
CID 4260167
6-bromo-2-(4-chlorophenyl)iminochromene-3-carboxamide
CID 1212142
2-(4-benzoylphenyl)imino-6-bromochromene-3-carboxamide
CID 4560210
6-bromo-2-(3-methylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51366891
8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 4038165
6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 4555471
2-(4-bromophenyl)imino-6-chlorochromene-3-carboxamide
CID 1212130
3-(3-bromophenyl)iminobenzo[f]chromene-2-carboxamide
CID 5041109
8-ethoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 4227887
2-(3-acetylphenyl)imino-6-methoxychromene-3-carboxamide
CID 4987314
6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 35218231

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-methylphenyl)iminochromene-3-carboxamide?
The IUPAC name of 6-bromo-2-(3-methylphenyl)iminochromene-3-carboxamide (CID 4012007) is 6-bromo-2-(3-methylphenyl)iminochromene-3-carboxamide.
What is the SMILES notation for 6-bromo-2-(3-methylphenyl)iminochromene-3-carboxamide?
The canonical SMILES for 6-bromo-2-(3-methylphenyl)iminochromene-3-carboxamide is Cc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(N)=O)c1.
What is the InChIKey of 6-bromo-2-(3-methylphenyl)iminochromene-3-carboxamide?
The InChIKey is UUTRWDKLSHWBKS-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c1-10-3-2-4-13(7-10)20-17-14(16(19)21)9-11-8-12(18)5-6-15(11)22-17/h2-9H,1H3,(H2,19,21)/b20-17-.
What are the key properties of 6-bromo-2-(3-methylphenyl)iminochromene-3-carboxamide?
6-bromo-2-(3-methylphenyl)iminochromene-3-carboxamide has a molecular weight of 357.21 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-methylphenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 4012007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).