N-(4-iodophenyl)-1,2-dihydroacenaphthylene-5-carboxamide

C19H14INO — CID 23940641

IUPACN-(4-iodophenyl)-1,2-dihydroacenaphthylene-5-carboxamide
SMILESO=C(Nc1ccc(I)cc1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C19H14INO/c20-14-7-9-15(10-8-14)21-19(22)17-11-6-13-5-4-12-2-1-3-16(17)18(12)13/h1-3,6-11H,4-5H2,(H,21,22)
InChIKeyPMTTYTNEICHFSC-UHFFFAOYSA-N
MW399.23 g/mol
LogP4.80
Rot. Bonds2

About N-(4-iodophenyl)-1,2-dihydroacenaphthylene-5-carboxamide

N-(4-iodophenyl)-1,2-dihydroacenaphthylene-5-carboxamide (PubChem CID 23940641) has the molecular formula C19H14INO and a molecular weight of 399.23 g/mol. Its IUPAC name is N-(4-iodophenyl)-1,2-dihydroacenaphthylene-5-carboxamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-1,2-dihydroacenaphthylene-5-carboxamide
PubChem CID23940641
Molecular FormulaC19H14INO
Molecular Weight399.23 g/mol
Exact Mass399.01
IUPAC NameN-(4-iodophenyl)-1,2-dihydroacenaphthylene-5-carboxamide
SMILESO=C(Nc1ccc(I)cc1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C19H14INO/c20-14-7-9-15(10-8-14)21-19(22)17-11-6-13-5-4-12-2-1-3-16(17)18(12)13/h1-3,6-11H,4-5H2,(H,21,22)
InChIKeyPMTTYTNEICHFSC-UHFFFAOYSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 54.80
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-(2-fluorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 1301177
N-(4-iodophenyl)naphthalene-1-carboxamide
CID 1019200
N-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 23877086
N-(3-chloro-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 23992050
1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide
CID 2852267
N-(4-methoxy-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 91962579
N-[4-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 2295147
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 46480702
N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide
CID 7533068
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
2-iodo-N-(4-iodophenyl)benzamide
CID 3118704
1,2-dihydroacenaphthylene;1,2-dihydroacenaphthylene-5-carbothioic S-acid
CID 88821671

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The IUPAC name of N-(4-iodophenyl)-1,2-dihydroacenaphthylene-5-carboxamide (CID 23940641) is N-(4-iodophenyl)-1,2-dihydroacenaphthylene-5-carboxamide.
What is the SMILES notation for N-(4-iodophenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The canonical SMILES for N-(4-iodophenyl)-1,2-dihydroacenaphthylene-5-carboxamide is O=C(Nc1ccc(I)cc1)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-(4-iodophenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The InChIKey is PMTTYTNEICHFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14INO/c20-14-7-9-15(10-8-14)21-19(22)17-11-6-13-5-4-12-2-1-3-16(17)18(12)13/h1-3,6-11H,4-5H2,(H,21,22).
What are the key properties of N-(4-iodophenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
N-(4-iodophenyl)-1,2-dihydroacenaphthylene-5-carboxamide has a molecular weight of 399.23 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-1,2-dihydroacenaphthylene-5-carboxamide is sourced from PubChem (CID 23940641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).