N-[(4-chloro-3-iodophenyl)methyl]naphthalene-2-carboxamide

C18H13ClINO — CID 140976581

IUPACN-[(4-chloro-3-iodophenyl)methyl]naphthalene-2-carboxamide
SMILESO=C(NCc1ccc(Cl)c(I)c1)c1ccc2ccccc2c1
InChIInChI=1S/C18H13ClINO/c19-16-8-5-12(9-17(16)20)11-21-18(22)15-7-6-13-3-1-2-4-14(13)10-15/h1-10H,11H2,(H,21,22)
InChIKeyKNRNUFBUVYHYCV-UHFFFAOYSA-N
MW421.67 g/mol
LogP5.03
Rot. Bonds3

About N-[(4-chloro-3-iodophenyl)methyl]naphthalene-2-carboxamide

N-[(4-chloro-3-iodophenyl)methyl]naphthalene-2-carboxamide (PubChem CID 140976581) has the molecular formula C18H13ClINO and a molecular weight of 421.67 g/mol. Its IUPAC name is N-[(4-chloro-3-iodophenyl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-3-iodophenyl)methyl]naphthalene-2-carboxamide
PubChem CID140976581
Molecular FormulaC18H13ClINO
Molecular Weight421.67 g/mol
Exact Mass420.97
IUPAC NameN-[(4-chloro-3-iodophenyl)methyl]naphthalene-2-carboxamide
SMILESO=C(NCc1ccc(Cl)c(I)c1)c1ccc2ccccc2c1
InChIInChI=1S/C18H13ClINO/c19-16-8-5-12(9-17(16)20)11-21-18(22)15-7-6-13-3-1-2-4-14(13)10-15/h1-10H,11H2,(H,21,22)
InChIKeyKNRNUFBUVYHYCV-UHFFFAOYSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.67
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(4-chloro-3-iodophenyl)methyl]naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(naphthalen-2-ylmethyl)benzamide
CID 47161333
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide
CID 9049744
4-chloro-3-iodo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55711340
N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 94042960
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 41261586
4-chloro-3-iodo-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 46456497
4-[[[2-(naphthalene-2-carbonylamino)benzoyl]amino]methyl]benzoic acid
CID 90656007
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
N-[2-(4-hydroxyphenyl)ethyl]naphthalene-2-carboxamide
CID 6624490

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-iodophenyl)methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[(4-chloro-3-iodophenyl)methyl]naphthalene-2-carboxamide (CID 140976581) is N-[(4-chloro-3-iodophenyl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(4-chloro-3-iodophenyl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(4-chloro-3-iodophenyl)methyl]naphthalene-2-carboxamide is O=C(NCc1ccc(Cl)c(I)c1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(4-chloro-3-iodophenyl)methyl]naphthalene-2-carboxamide?
The InChIKey is KNRNUFBUVYHYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClINO/c19-16-8-5-12(9-17(16)20)11-21-18(22)15-7-6-13-3-1-2-4-14(13)10-15/h1-10H,11H2,(H,21,22).
What are the key properties of N-[(4-chloro-3-iodophenyl)methyl]naphthalene-2-carboxamide?
N-[(4-chloro-3-iodophenyl)methyl]naphthalene-2-carboxamide has a molecular weight of 421.67 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-iodophenyl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 140976581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).