4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide

C17H18ClIN2O — CID 39704149

IUPAC4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide
SMILESCN(CCCNC(=O)c1ccc(Cl)cc1I)c1ccccc1
InChIInChI=1S/C17H18ClIN2O/c1-21(14-6-3-2-4-7-14)11-5-10-20-17(22)15-9-8-13(18)12-16(15)19/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,22)
InChIKeyQHPCDZSATFRYQC-UHFFFAOYSA-N
MW428.70 g/mol
LogP4.20
Rot. Bonds6

About 4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide

4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide (PubChem CID 39704149) has the molecular formula C17H18ClIN2O and a molecular weight of 428.70 g/mol. Its IUPAC name is 4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide
PubChem CID39704149
Molecular FormulaC17H18ClIN2O
Molecular Weight428.70 g/mol
Exact Mass428.02
IUPAC Name4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide
SMILESCN(CCCNC(=O)c1ccc(Cl)cc1I)c1ccccc1
InChIInChI=1S/C17H18ClIN2O/c1-21(14-6-3-2-4-7-14)11-5-10-20-17(22)15-9-8-13(18)12-16(15)19/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,22)
InChIKeyQHPCDZSATFRYQC-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.70
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide
CID 27746785
2,5-dichloro-N-[3-(N-methylanilino)propyl]thiophene-3-carboxamide
CID 27746858
N-butyl-4-chloro-2-iodobenzamide
CID 172647444
2-iodo-N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]benzamide
CID 25472463
2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 61111968
4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 81230949
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
2-iodo-N-[3-(4-methoxy-N-methylanilino)propyl]-4-methylbenzamide
CID 100527983
5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide
CID 120645211
N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 31316694
2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 99835968
2-chloro-N-[2-[3-(N-methylanilino)propylcarbamoyl]phenyl]-4-nitrobenzamide
CID 29239514

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide?
The IUPAC name of 4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide (CID 39704149) is 4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide.
What is the SMILES notation for 4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide?
The canonical SMILES for 4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide is CN(CCCNC(=O)c1ccc(Cl)cc1I)c1ccccc1.
What is the InChIKey of 4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide?
The InChIKey is QHPCDZSATFRYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClIN2O/c1-21(14-6-3-2-4-7-14)11-5-10-20-17(22)15-9-8-13(18)12-16(15)19/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,22).
What are the key properties of 4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide?
4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide has a molecular weight of 428.70 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide is sourced from PubChem (CID 39704149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).