N-(4-anilinophenyl)-3-iodo-4-methoxybenzamide

C20H17IN2O2 — CID 1010448

IUPACN-(4-anilinophenyl)-3-iodo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1I
InChIInChI=1S/C20H17IN2O2/c1-25-19-12-7-14(13-18(19)21)20(24)23-17-10-8-16(9-11-17)22-15-5-3-2-4-6-15/h2-13,22H,1H3,(H,23,24)
InChIKeyHGOIHULSJVEGAC-UHFFFAOYSA-N
MW444.27 g/mol
LogP5.30
Rot. Bonds5

About N-(4-anilinophenyl)-3-iodo-4-methoxybenzamide

N-(4-anilinophenyl)-3-iodo-4-methoxybenzamide (PubChem CID 1010448) has the molecular formula C20H17IN2O2 and a molecular weight of 444.27 g/mol. Its IUPAC name is N-(4-anilinophenyl)-3-iodo-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-3-iodo-4-methoxybenzamide
PubChem CID1010448
Molecular FormulaC20H17IN2O2
Molecular Weight444.27 g/mol
Exact Mass444.03
IUPAC NameN-(4-anilinophenyl)-3-iodo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1I
InChIInChI=1S/C20H17IN2O2/c1-25-19-12-7-14(13-18(19)21)20(24)23-17-10-8-16(9-11-17)22-15-5-3-2-4-6-15/h2-13,22H,1H3,(H,23,24)
InChIKeyHGOIHULSJVEGAC-UHFFFAOYSA-N
XLogP5.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.27
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-iodo-4-methoxybenzoyl)amino]-3-phenylurea
CID 5186503
3-iodo-4-methoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 26164546
3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218730
3-anilino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 18626285
4-methoxy-3-phenoxy-N-phenylbenzamide
CID 18626251
3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952478
3-iodo-4-methoxy-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 43878187
3-cyano-4-methoxy-N-phenylbenzamide
CID 18626252
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-iodo-4-methoxybenzamide
CID 4940853
3-anilino-N-(2-methoxyphenyl)benzamide
CID 3501279
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
CID 112985880

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-3-iodo-4-methoxybenzamide?
The IUPAC name of N-(4-anilinophenyl)-3-iodo-4-methoxybenzamide (CID 1010448) is N-(4-anilinophenyl)-3-iodo-4-methoxybenzamide.
What is the SMILES notation for N-(4-anilinophenyl)-3-iodo-4-methoxybenzamide?
The canonical SMILES for N-(4-anilinophenyl)-3-iodo-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1I.
What is the InChIKey of N-(4-anilinophenyl)-3-iodo-4-methoxybenzamide?
The InChIKey is HGOIHULSJVEGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17IN2O2/c1-25-19-12-7-14(13-18(19)21)20(24)23-17-10-8-16(9-11-17)22-15-5-3-2-4-6-15/h2-13,22H,1H3,(H,23,24).
What are the key properties of N-(4-anilinophenyl)-3-iodo-4-methoxybenzamide?
N-(4-anilinophenyl)-3-iodo-4-methoxybenzamide has a molecular weight of 444.27 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-3-iodo-4-methoxybenzamide is sourced from PubChem (CID 1010448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).