N-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide

C18H13ClN2O3 — CID 19574019

IUPACN-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C18H13ClN2O3/c1-10(22)11-2-5-14(6-3-11)21-18(23)15-9-12-8-13(19)4-7-16(12)24-17(15)20/h2-9,20H,1H3,(H,21,23)/b20-17-
InChIKeyDTBXEJQRAVHEER-JZJYNLBNSA-N
MW340.77 g/mol
LogP4.02
Rot. Bonds3

About N-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide

N-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide (PubChem CID 19574019) has the molecular formula C18H13ClN2O3 and a molecular weight of 340.77 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide
PubChem CID19574019
Molecular FormulaC18H13ClN2O3
Molecular Weight340.77 g/mol
Exact Mass340.06
IUPAC NameN-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C18H13ClN2O3/c1-10(22)11-2-5-14(6-3-11)21-18(23)15-9-12-8-13(19)4-7-16(12)24-17(15)20/h2-9,20H,1H3,(H,21,23)/b20-17-
InChIKeyDTBXEJQRAVHEER-JZJYNLBNSA-N
XLogP4.02
TPSA83.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(3,5-dichlorophenyl)-2-iminochromene-3-carboxamide
CID 17373603
N-(4-acetylphenyl)-2-imino-6-nitrochromene-3-carboxamide
CID 19574015
6-chloro-2-imino-N-(4-sulfamoylphenyl)chromene-3-carboxamide
CID 19289000
2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 3245498
N-(4-acetylphenyl)-7-(diethylamino)-2-iminochromene-3-carboxamide
CID 17373653
6-chloro-N-(2,3-dichlorophenyl)-2-iminochromene-3-carboxamide
CID 17373604
6-chloro-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
CID 19573962
6-chloro-N-[2-[4-[2-[(6-chloro-2-iminochromene-3-carbonyl)amino]phenoxy]butoxy]phenyl]-2-iminochromene-3-carboxamide
CID 15467298
6-bromo-N-(5-chloro-2-methoxyphenyl)-2-iminochromene-3-carboxamide
CID 17374434
6-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide
CID 17374392
2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide
CID 19573970
ethyl 2-[(6-chloro-2-iminochromene-3-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 17281895

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide (CID 19574019) is N-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide is [H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide?
The InChIKey is DTBXEJQRAVHEER-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H13ClN2O3/c1-10(22)11-2-5-14(6-3-11)21-18(23)15-9-12-8-13(19)4-7-16(12)24-17(15)20/h2-9,20H,1H3,(H,21,23)/b20-17-.
What are the key properties of N-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide?
N-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide has a molecular weight of 340.77 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide is sourced from PubChem (CID 19574019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).