CID 90477654

C19H16ClKNO3 — CID 90477654

IUPAC—
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc2ccccc2cc1O.[K]
InChIInChI=1S/C19H16ClNO3.K/c1-11-7-16(18(24-2)10-15(11)20)21-19(23)14-8-12-5-3-4-6-13(12)9-17(14)22;/h3-10,22H,1-2H3,(H,21,23);
InChIKeyPKLJFPWYPMRILA-UHFFFAOYSA-N
MW380.89 g/mol
LogP4.39
Rot. Bonds3

About CID 90477654

CID 90477654 (PubChem CID 90477654) has the molecular formula C19H16ClKNO3 and a molecular weight of 380.89 g/mol.

Molecular Properties

Compound NameCID 90477654
PubChem CID90477654
Molecular FormulaC19H16ClKNO3
Molecular Weight380.89 g/mol
Exact Mass380.05
IUPAC Name—
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc2ccccc2cc1O.[K]
InChIInChI=1S/C19H16ClNO3.K/c1-11-7-16(18(24-2)10-15(11)20)21-19(23)14-8-12-5-3-4-6-13(12)9-17(14)22;/h3-10,22H,1-2H3,(H,21,23);
InChIKeyPKLJFPWYPMRILA-UHFFFAOYSA-N
XLogP4.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.89
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-chloro-2-methoxy-5-methylphenyl)-2,6-dihydroxybenzamide
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N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
CID 2107284
N-(2-chloro-6-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 44721323
N-[2,5-dichloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]-3-hydroxynaphthalene-2-carboxamide
CID 19850925
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 772092
N-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 20604815
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 1328482
3-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 20604816
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide
CID 4852133
N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-ylsulfonylbenzamide
CID 31289322

Frequently Asked Questions

What is the IUPAC name of CID 90477654?
The IUPAC name of CID 90477654 (CID 90477654) is not available.
What is the SMILES notation for CID 90477654?
The canonical SMILES for CID 90477654 is COc1cc(Cl)c(C)cc1NC(=O)c1cc2ccccc2cc1O.[K].
What is the InChIKey of CID 90477654?
The InChIKey is PKLJFPWYPMRILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3.K/c1-11-7-16(18(24-2)10-15(11)20)21-19(23)14-8-12-5-3-4-6-13(12)9-17(14)22;/h3-10,22H,1-2H3,(H,21,23);.
What are the key properties of CID 90477654?
CID 90477654 has a molecular weight of 380.89 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90477654 is sourced from PubChem (CID 90477654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).