N-[3-[[(4-chloro-2-iodobenzoyl)amino]methyl]phenyl]furan-2-carboxamide

C19H14ClIN2O3 — CID 46453642

IUPACN-[3-[[(4-chloro-2-iodobenzoyl)amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)c2ccc(Cl)cc2I)c1)c1ccco1
InChIInChI=1S/C19H14ClIN2O3/c20-13-6-7-15(16(21)10-13)18(24)22-11-12-3-1-4-14(9-12)23-19(25)17-5-2-8-26-17/h1-10H,11H2,(H,22,24)(H,23,25)
InChIKeyUIDKWSSKAXNABK-UHFFFAOYSA-N
MW480.69 g/mol
LogP4.72
Rot. Bonds5

About N-[3-[[(4-chloro-2-iodobenzoyl)amino]methyl]phenyl]furan-2-carboxamide

N-[3-[[(4-chloro-2-iodobenzoyl)amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 46453642) has the molecular formula C19H14ClIN2O3 and a molecular weight of 480.69 g/mol. Its IUPAC name is N-[3-[[(4-chloro-2-iodobenzoyl)amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(4-chloro-2-iodobenzoyl)amino]methyl]phenyl]furan-2-carboxamide
PubChem CID46453642
Molecular FormulaC19H14ClIN2O3
Molecular Weight480.69 g/mol
Exact Mass479.97
IUPAC NameN-[3-[[(4-chloro-2-iodobenzoyl)amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)c2ccc(Cl)cc2I)c1)c1ccco1
InChIInChI=1S/C19H14ClIN2O3/c20-13-6-7-15(16(21)10-13)18(24)22-11-12-3-1-4-14(9-12)23-19(25)17-5-2-8-26-17/h1-10H,11H2,(H,22,24)(H,23,25)
InChIKeyUIDKWSSKAXNABK-UHFFFAOYSA-N
XLogP4.72
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.69
LogP ≤ 54.72
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

N-[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 46671768
N-[3-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 3495265
5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide
CID 46483206
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457
N-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
CID 78871658
N-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
CID 100700674
N-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 39228978
N-[5-[(3-chlorophenyl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51158750
N-[3-[[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 46401295
N-[3-[[[[(4-chlorophenyl)methylamino]-(ethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111130691
methyl 4-chloro-2-(furan-2-carbonylamino)benzoate
CID 60630180
5-chloro-2-iodo-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 46453145

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-chloro-2-iodobenzoyl)amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[(4-chloro-2-iodobenzoyl)amino]methyl]phenyl]furan-2-carboxamide (CID 46453642) is N-[3-[[(4-chloro-2-iodobenzoyl)amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[(4-chloro-2-iodobenzoyl)amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[(4-chloro-2-iodobenzoyl)amino]methyl]phenyl]furan-2-carboxamide is O=C(Nc1cccc(CNC(=O)c2ccc(Cl)cc2I)c1)c1ccco1.
What is the InChIKey of N-[3-[[(4-chloro-2-iodobenzoyl)amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is UIDKWSSKAXNABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClIN2O3/c20-13-6-7-15(16(21)10-13)18(24)22-11-12-3-1-4-14(9-12)23-19(25)17-5-2-8-26-17/h1-10H,11H2,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[(4-chloro-2-iodobenzoyl)amino]methyl]phenyl]furan-2-carboxamide?
N-[3-[[(4-chloro-2-iodobenzoyl)amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 480.69 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-chloro-2-iodobenzoyl)amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46453642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).