5-chloro-N-(4-iodo-2,5-dimethylphenyl)naphthalene-1-carboxamide

C19H15ClINO — CID 22780345

IUPAC5-chloro-N-(4-iodo-2,5-dimethylphenyl)naphthalene-1-carboxamide
SMILESCc1cc(NC(=O)c2cccc3c(Cl)cccc23)c(C)cc1I
InChIInChI=1S/C19H15ClINO/c1-11-10-18(12(2)9-17(11)21)22-19(23)15-7-3-6-14-13(15)5-4-8-16(14)20/h3-10H,1-2H3,(H,22,23)
InChIKeyBZBQVUZULCKWDV-UHFFFAOYSA-N
MW435.69 g/mol
LogP5.97
Rot. Bonds2

About 5-chloro-N-(4-iodo-2,5-dimethylphenyl)naphthalene-1-carboxamide

5-chloro-N-(4-iodo-2,5-dimethylphenyl)naphthalene-1-carboxamide (PubChem CID 22780345) has the molecular formula C19H15ClINO and a molecular weight of 435.69 g/mol. Its IUPAC name is 5-chloro-N-(4-iodo-2,5-dimethylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-iodo-2,5-dimethylphenyl)naphthalene-1-carboxamide
PubChem CID22780345
Molecular FormulaC19H15ClINO
Molecular Weight435.69 g/mol
Exact Mass434.99
IUPAC Name5-chloro-N-(4-iodo-2,5-dimethylphenyl)naphthalene-1-carboxamide
SMILESCc1cc(NC(=O)c2cccc3c(Cl)cccc23)c(C)cc1I
InChIInChI=1S/C19H15ClINO/c1-11-10-18(12(2)9-17(11)21)22-19(23)15-7-3-6-14-13(15)5-4-8-16(14)20/h3-10H,1-2H3,(H,22,23)
InChIKeyBZBQVUZULCKWDV-UHFFFAOYSA-N
XLogP5.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.69
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide
CID 17101827
5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide
CID 2993699
5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide
CID 17102027
methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate
CID 17102102
3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide
CID 19630910
5-chloro-N-(3,5-dichlorophenyl)naphthalene-1-carboxamide
CID 17102050
5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 17101910
3,5-dichloro-N-(4-iodo-2,5-dimethylphenyl)-4-methoxybenzamide
CID 22782458
3-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide
CID 114257023
4-tert-butyl-N-(5-chloronaphthalen-1-yl)-2-methylbenzamide
CID 71046726
N-(4-iodo-2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2204890
5-bromo-N-(2-hydroxy-4,5-dimethylphenyl)naphthalene-1-carboxamide
CID 3491041

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-iodo-2,5-dimethylphenyl)naphthalene-1-carboxamide?
The IUPAC name of 5-chloro-N-(4-iodo-2,5-dimethylphenyl)naphthalene-1-carboxamide (CID 22780345) is 5-chloro-N-(4-iodo-2,5-dimethylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-iodo-2,5-dimethylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for 5-chloro-N-(4-iodo-2,5-dimethylphenyl)naphthalene-1-carboxamide is Cc1cc(NC(=O)c2cccc3c(Cl)cccc23)c(C)cc1I.
What is the InChIKey of 5-chloro-N-(4-iodo-2,5-dimethylphenyl)naphthalene-1-carboxamide?
The InChIKey is BZBQVUZULCKWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClINO/c1-11-10-18(12(2)9-17(11)21)22-19(23)15-7-3-6-14-13(15)5-4-8-16(14)20/h3-10H,1-2H3,(H,22,23).
What are the key properties of 5-chloro-N-(4-iodo-2,5-dimethylphenyl)naphthalene-1-carboxamide?
5-chloro-N-(4-iodo-2,5-dimethylphenyl)naphthalene-1-carboxamide has a molecular weight of 435.69 g/mol, XLogP of 5.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-iodo-2,5-dimethylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 22780345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).