N-(2-chloro-4-iodophenyl)naphthalene-1-carboxamide

C17H11ClINO — CID 1370762

IUPACN-(2-chloro-4-iodophenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(I)cc1Cl)c1cccc2ccccc12
InChIInChI=1S/C17H11ClINO/c18-15-10-12(19)8-9-16(15)20-17(21)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,20,21)
InChIKeySHRPIHJJHNLIMM-UHFFFAOYSA-N
MW407.64 g/mol
LogP5.35
Rot. Bonds2

About N-(2-chloro-4-iodophenyl)naphthalene-1-carboxamide

N-(2-chloro-4-iodophenyl)naphthalene-1-carboxamide (PubChem CID 1370762) has the molecular formula C17H11ClINO and a molecular weight of 407.64 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)naphthalene-1-carboxamide
PubChem CID1370762
Molecular FormulaC17H11ClINO
Molecular Weight407.64 g/mol
Exact Mass406.96
IUPAC NameN-(2-chloro-4-iodophenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(I)cc1Cl)c1cccc2ccccc12
InChIInChI=1S/C17H11ClINO/c18-15-10-12(19)8-9-16(15)20-17(21)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,20,21)
InChIKeySHRPIHJJHNLIMM-UHFFFAOYSA-N
XLogP5.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.64
LogP ≤ 55.35
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

N-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide
CID 2179861
N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]naphthalene-1-carboxamide
CID 5153626
N-(4-iodophenyl)naphthalene-1-carboxamide
CID 1019200
N-(2-iodophenyl)naphthalene-1-carboxamide
CID 11660752
2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide
CID 1048232
N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 823910
N-[4-iodo-2-(morpholine-4-carbonyl)phenyl]naphthalene-1-carboxamide
CID 2197419
2-[2-(2-chloro-4-iodoanilino)-2-oxoethyl]benzoic acid
CID 104601404
N-(3-benzamido-4-chlorophenyl)naphthalene-1-carboxamide
CID 1104039
N-(2-chloro-4-iodophenyl)-2-phenylacetamide
CID 1371739
N-(2-fluoro-4-hydroxyphenyl)naphthalene-1-carboxamide
CID 64795170
N-(2-amino-4-hydroxyphenyl)naphthalene-1-carboxamide
CID 107697510

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)naphthalene-1-carboxamide (CID 1370762) is N-(2-chloro-4-iodophenyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)naphthalene-1-carboxamide is O=C(Nc1ccc(I)cc1Cl)c1cccc2ccccc12.
What is the InChIKey of N-(2-chloro-4-iodophenyl)naphthalene-1-carboxamide?
The InChIKey is SHRPIHJJHNLIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClINO/c18-15-10-12(19)8-9-16(15)20-17(21)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,20,21).
What are the key properties of N-(2-chloro-4-iodophenyl)naphthalene-1-carboxamide?
N-(2-chloro-4-iodophenyl)naphthalene-1-carboxamide has a molecular weight of 407.64 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 1370762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).