N-acetyl-2-(4-bromophenyl)imino-8-methoxychromene-3-carboxamide

C19H15BrN2O4 — CID 3885953

IUPACN-acetyl-2-(4-bromophenyl)imino-8-methoxychromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NC(C)=O)/c(=N/c3ccc(Br)cc3)oc12
InChIInChI=1S/C19H15BrN2O4/c1-11(23)21-18(24)15-10-12-4-3-5-16(25-2)17(12)26-19(15)22-14-8-6-13(20)7-9-14/h3-10H,1-2H3,(H,21,23,24)/b22-19-
InChIKeyAZMYQEDZDSKOLB-QOCHGBHMSA-N
MW415.24 g/mol
LogP3.71
Rot. Bonds3

About N-acetyl-2-(4-bromophenyl)imino-8-methoxychromene-3-carboxamide

N-acetyl-2-(4-bromophenyl)imino-8-methoxychromene-3-carboxamide (PubChem CID 3885953) has the molecular formula C19H15BrN2O4 and a molecular weight of 415.24 g/mol. Its IUPAC name is N-acetyl-2-(4-bromophenyl)imino-8-methoxychromene-3-carboxamide.

Molecular Properties

Compound NameN-acetyl-2-(4-bromophenyl)imino-8-methoxychromene-3-carboxamide
PubChem CID3885953
Molecular FormulaC19H15BrN2O4
Molecular Weight415.24 g/mol
Exact Mass414.02
IUPAC NameN-acetyl-2-(4-bromophenyl)imino-8-methoxychromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NC(C)=O)/c(=N/c3ccc(Br)cc3)oc12
InChIInChI=1S/C19H15BrN2O4/c1-11(23)21-18(24)15-10-12-4-3-5-16(25-2)17(12)26-19(15)22-14-8-6-13(20)7-9-14/h3-10H,1-2H3,(H,21,23,24)/b22-19-
InChIKeyAZMYQEDZDSKOLB-QOCHGBHMSA-N
XLogP3.71
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.24
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide
CID 51366970
4-[[3-[(2-fluorophenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino]benzoate
CID 4068461
2-(4-fluorophenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1135040
8-methoxy-2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367581
8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 4038165
methyl 3-[(3-carbamoyl-8-methoxychromen-2-ylidene)amino]benzoate
CID 51366960
2-(4-carbamoylphenyl)imino-8-methoxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51367191
2-(1,3-benzodioxol-5-ylimino)-8-methoxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 53334809
ethyl 4-[[8-methoxy-3-[[(2R)-oxolan-2-yl]methylcarbamoyl]chromen-2-ylidene]amino]benzoate
CID 95185035
ethyl 4-[[8-methoxy-3-[[(2S)-oxolan-2-yl]methylcarbamoyl]chromen-2-ylidene]amino]benzoate
CID 95185034
8-methoxy-2-(4-methylphenyl)imino-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromene-3-carboxamide
CID 3144319
4-[[3-[(3,4-dimethoxyphenyl)carbamoyl]-8-ethoxychromen-2-ylidene]amino]benzoate
CID 4078534

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-(4-bromophenyl)imino-8-methoxychromene-3-carboxamide?
The IUPAC name of N-acetyl-2-(4-bromophenyl)imino-8-methoxychromene-3-carboxamide (CID 3885953) is N-acetyl-2-(4-bromophenyl)imino-8-methoxychromene-3-carboxamide.
What is the SMILES notation for N-acetyl-2-(4-bromophenyl)imino-8-methoxychromene-3-carboxamide?
The canonical SMILES for N-acetyl-2-(4-bromophenyl)imino-8-methoxychromene-3-carboxamide is COc1cccc2cc(C(=O)NC(C)=O)/c(=N/c3ccc(Br)cc3)oc12.
What is the InChIKey of N-acetyl-2-(4-bromophenyl)imino-8-methoxychromene-3-carboxamide?
The InChIKey is AZMYQEDZDSKOLB-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H15BrN2O4/c1-11(23)21-18(24)15-10-12-4-3-5-16(25-2)17(12)26-19(15)22-14-8-6-13(20)7-9-14/h3-10H,1-2H3,(H,21,23,24)/b22-19-.
What are the key properties of N-acetyl-2-(4-bromophenyl)imino-8-methoxychromene-3-carboxamide?
N-acetyl-2-(4-bromophenyl)imino-8-methoxychromene-3-carboxamide has a molecular weight of 415.24 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-(4-bromophenyl)imino-8-methoxychromene-3-carboxamide is sourced from PubChem (CID 3885953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).