N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide

C17H14ClNO2 — CID 7465015

IUPACN-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C17H14ClNO2/c1-11-6-7-14(18)9-15(11)19-17(20)13-8-12-4-2-3-5-16(12)21-10-13/h2-9H,10H2,1H3,(H,19,20)
InChIKeyWNFQCTBADYUOCE-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.06
Rot. Bonds2

About N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide

N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide (PubChem CID 7465015) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide
PubChem CID7465015
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC NameN-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C17H14ClNO2/c1-11-6-7-14(18)9-15(11)19-17(20)13-8-12-4-2-3-5-16(12)21-10-13/h2-9H,10H2,1H3,(H,19,20)
InChIKeyWNFQCTBADYUOCE-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide
CID 16652197
methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate
CID 16652219
N-(2-methoxy-5-methylphenyl)-2H-chromene-3-carboxamide
CID 17416535
N-(3,4-difluorophenyl)-2H-chromene-3-carboxamide
CID 26736929
6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide
CID 24517965
N-(2-ethoxyphenyl)-2H-chromene-3-carboxamide
CID 7464979
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2H-chromene-3-carboxamide
CID 34193245
N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide
CID 17418033
6-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2H-chromene-3-carboxamide
CID 55441969
6-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-2H-chromene-3-carboxamide
CID 60532279
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
CID 119504069

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide (CID 7465015) is N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1=Cc2ccccc2OC1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide?
The InChIKey is WNFQCTBADYUOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-11-6-7-14(18)9-15(11)19-17(20)13-8-12-4-2-3-5-16(12)21-10-13/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide?
N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 7465015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).