2-iodo-N-(4-propoxyphenyl)benzamide

C16H16INO2 — CID 4942969

IUPAC2-iodo-N-(4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccccc2I)cc1
InChIInChI=1S/C16H16INO2/c1-2-11-20-13-9-7-12(8-10-13)18-16(19)14-5-3-4-6-15(14)17/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyZBRSNYRYWNLPNU-UHFFFAOYSA-N
MW381.21 g/mol
LogP4.33
Rot. Bonds5

About 2-iodo-N-(4-propoxyphenyl)benzamide

2-iodo-N-(4-propoxyphenyl)benzamide (PubChem CID 4942969) has the molecular formula C16H16INO2 and a molecular weight of 381.21 g/mol. Its IUPAC name is 2-iodo-N-(4-propoxyphenyl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(4-propoxyphenyl)benzamide
PubChem CID4942969
Molecular FormulaC16H16INO2
Molecular Weight381.21 g/mol
Exact Mass381.02
IUPAC Name2-iodo-N-(4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccccc2I)cc1
InChIInChI=1S/C16H16INO2/c1-2-11-20-13-9-7-12(8-10-13)18-16(19)14-5-3-4-6-15(14)17/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyZBRSNYRYWNLPNU-UHFFFAOYSA-N
XLogP4.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide
CID 32937991
2-(2-phenoxyethoxy)-N-(4-propoxyphenyl)benzamide
CID 4954419
2-[4-[(2-iodobenzoyl)amino]phenoxy]acetate
CID 7324626
2-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 615692
2-pentoxy-N-(4-propoxyphenyl)benzamide
CID 4946753
2-iodo-N-(4-phenoxyphenyl)benzamide
CID 1010138
N-(4-butoxyphenyl)-2-[[2-[(4-butoxyphenyl)carbamoyl]phenyl]disulfanyl]benzamide
CID 15165551
2-amino-3-methyl-N-(4-propoxyphenyl)benzamide
CID 62329162
2-[(4-decoxyphenyl)carbamoyl]benzoic acid
CID 51001456
2-iodo-N-(4-iodophenyl)benzamide
CID 3118704
N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2-iodobenzamide
CID 55548156

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(4-propoxyphenyl)benzamide?
The IUPAC name of 2-iodo-N-(4-propoxyphenyl)benzamide (CID 4942969) is 2-iodo-N-(4-propoxyphenyl)benzamide.
What is the SMILES notation for 2-iodo-N-(4-propoxyphenyl)benzamide?
The canonical SMILES for 2-iodo-N-(4-propoxyphenyl)benzamide is CCCOc1ccc(NC(=O)c2ccccc2I)cc1.
What is the InChIKey of 2-iodo-N-(4-propoxyphenyl)benzamide?
The InChIKey is ZBRSNYRYWNLPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO2/c1-2-11-20-13-9-7-12(8-10-13)18-16(19)14-5-3-4-6-15(14)17/h3-10H,2,11H2,1H3,(H,18,19).
What are the key properties of 2-iodo-N-(4-propoxyphenyl)benzamide?
2-iodo-N-(4-propoxyphenyl)benzamide has a molecular weight of 381.21 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(4-propoxyphenyl)benzamide is sourced from PubChem (CID 4942969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).