N-[2-[(3,4-dichloroanilino)carbamoyl]phenyl]-2-phenoxypyridine-3-carboxamide

C25H18Cl2N4O3 — CID 2798741

IUPACN-[2-[(3,4-dichloroanilino)carbamoyl]phenyl]-2-phenoxypyridine-3-carboxamide
SMILESO=C(NNc1ccc(Cl)c(Cl)c1)c1ccccc1NC(=O)c1cccnc1Oc1ccccc1
InChIInChI=1S/C25H18Cl2N4O3/c26-20-13-12-16(15-21(20)27)30-31-24(33)18-9-4-5-11-22(18)29-23(32)19-10-6-14-28-25(19)34-17-7-2-1-3-8-17/h1-15,30H,(H,29,32)(H,31,33)
InChIKeyAMDACFUUHIMFTO-UHFFFAOYSA-N
MW493.35 g/mol
LogP6.19
Rot. Bonds7

About N-[2-[(3,4-dichloroanilino)carbamoyl]phenyl]-2-phenoxypyridine-3-carboxamide

N-[2-[(3,4-dichloroanilino)carbamoyl]phenyl]-2-phenoxypyridine-3-carboxamide (PubChem CID 2798741) has the molecular formula C25H18Cl2N4O3 and a molecular weight of 493.35 g/mol. Its IUPAC name is N-[2-[(3,4-dichloroanilino)carbamoyl]phenyl]-2-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,4-dichloroanilino)carbamoyl]phenyl]-2-phenoxypyridine-3-carboxamide
PubChem CID2798741
Molecular FormulaC25H18Cl2N4O3
Molecular Weight493.35 g/mol
Exact Mass492.08
IUPAC NameN-[2-[(3,4-dichloroanilino)carbamoyl]phenyl]-2-phenoxypyridine-3-carboxamide
SMILESO=C(NNc1ccc(Cl)c(Cl)c1)c1ccccc1NC(=O)c1cccnc1Oc1ccccc1
InChIInChI=1S/C25H18Cl2N4O3/c26-20-13-12-16(15-21(20)27)30-31-24(33)18-9-4-5-11-22(18)29-23(32)19-10-6-14-28-25(19)34-17-7-2-1-3-8-17/h1-15,30H,(H,29,32)(H,31,33)
InChIKeyAMDACFUUHIMFTO-UHFFFAOYSA-N
XLogP6.19
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.35
LogP ≤ 56.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methylphenyl)-2-phenoxypyridine-3-carbohydrazide
CID 2812497
N-(4-methoxyphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513637
N-(2,4-dichlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 612195
N-(3-methylphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513585
N-(2,3-dihydro-1H-inden-5-yl)-2-phenoxypyridine-3-carboxamide
CID 24514604
N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632653
5-chloro-N-(2-phenoxy-3-pyridinyl)thiophene-2-carboxamide
CID 43068513
2-[[2-[(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 6958356
N-(2-benzylpyrazol-3-yl)-2-phenoxypyridine-3-carboxamide
CID 8890850
2-(3-chlorophenoxy)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 12894430
N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-phenoxypyridine-3-carbohydrazide
CID 51279505
N-(2-chloro-3-pyridinyl)-4-phenoxybenzamide
CID 837045

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-dichloroanilino)carbamoyl]phenyl]-2-phenoxypyridine-3-carboxamide?
The IUPAC name of N-[2-[(3,4-dichloroanilino)carbamoyl]phenyl]-2-phenoxypyridine-3-carboxamide (CID 2798741) is N-[2-[(3,4-dichloroanilino)carbamoyl]phenyl]-2-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(3,4-dichloroanilino)carbamoyl]phenyl]-2-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-[(3,4-dichloroanilino)carbamoyl]phenyl]-2-phenoxypyridine-3-carboxamide is O=C(NNc1ccc(Cl)c(Cl)c1)c1ccccc1NC(=O)c1cccnc1Oc1ccccc1.
What is the InChIKey of N-[2-[(3,4-dichloroanilino)carbamoyl]phenyl]-2-phenoxypyridine-3-carboxamide?
The InChIKey is AMDACFUUHIMFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N4O3/c26-20-13-12-16(15-21(20)27)30-31-24(33)18-9-4-5-11-22(18)29-23(32)19-10-6-14-28-25(19)34-17-7-2-1-3-8-17/h1-15,30H,(H,29,32)(H,31,33).
What are the key properties of N-[2-[(3,4-dichloroanilino)carbamoyl]phenyl]-2-phenoxypyridine-3-carboxamide?
N-[2-[(3,4-dichloroanilino)carbamoyl]phenyl]-2-phenoxypyridine-3-carboxamide has a molecular weight of 493.35 g/mol, XLogP of 6.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-dichloroanilino)carbamoyl]phenyl]-2-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 2798741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).