4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide

C21H18INO — CID 132610512

IUPAC4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccccc1C(NC(=O)c1ccc(I)cc1)c1ccccc1
InChIInChI=1S/C21H18INO/c1-15-7-5-6-10-19(15)20(16-8-3-2-4-9-16)23-21(24)17-11-13-18(22)14-12-17/h2-14,20H,1H3,(H,23,24)
InChIKeyDPRNXJTZTMLKKQ-UHFFFAOYSA-N
MW427.29 g/mol
LogP5.12
Rot. Bonds4

About 4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide

4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide (PubChem CID 132610512) has the molecular formula C21H18INO and a molecular weight of 427.29 g/mol. Its IUPAC name is 4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide
PubChem CID132610512
Molecular FormulaC21H18INO
Molecular Weight427.29 g/mol
Exact Mass427.04
IUPAC Name4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccccc1C(NC(=O)c1ccc(I)cc1)c1ccccc1
InChIInChI=1S/C21H18INO/c1-15-7-5-6-10-19(15)20(16-8-3-2-4-9-16)23-21(24)17-11-13-18(22)14-12-17/h2-14,20H,1H3,(H,23,24)
InChIKeyDPRNXJTZTMLKKQ-UHFFFAOYSA-N
XLogP5.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.29
LogP ≤ 55.12
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

4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92678214
2-methyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 28578946
N-[(R)-(2-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide
CID 93487464
N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 100628969
4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 94016501
N-[(R)-(2-methylphenyl)-phenylmethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 100617006
[(R)-(2-methylphenyl)-phenylmethyl]urea
CID 870913
3,4,5-trimethoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92647149
3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92647148
3-fluoro-4-methoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 100613122
2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide
CID 100583680
N-benzhydryl-3,4-dimethylbenzamide
CID 1219840

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide?
The IUPAC name of 4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide (CID 132610512) is 4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide.
What is the SMILES notation for 4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide?
The canonical SMILES for 4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide is Cc1ccccc1C(NC(=O)c1ccc(I)cc1)c1ccccc1.
What is the InChIKey of 4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide?
The InChIKey is DPRNXJTZTMLKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18INO/c1-15-7-5-6-10-19(15)20(16-8-3-2-4-9-16)23-21(24)17-11-13-18(22)14-12-17/h2-14,20H,1H3,(H,23,24).
What are the key properties of 4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide?
4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide has a molecular weight of 427.29 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide is sourced from PubChem (CID 132610512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).