N-[5-[(4,5-dichloro-2-pyridinyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide

C18H13Cl2N3O3 — CID 75512395

IUPACN-[5-[(4,5-dichloro-2-pyridinyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)c(Cl)cn2)cc1NC(=O)c1ccco1
InChIInChI=1S/C18H13Cl2N3O3/c1-10-4-5-11(7-14(10)22-18(25)15-3-2-6-26-15)17(24)23-16-8-12(19)13(20)9-21-16/h2-9H,1H3,(H,22,25)(H,21,23,24)
InChIKeySQUFYGTVDUHJKT-UHFFFAOYSA-N
MW390.23 g/mol
LogP4.79
Rot. Bonds4

About N-[5-[(4,5-dichloro-2-pyridinyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide

N-[5-[(4,5-dichloro-2-pyridinyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 75512395) has the molecular formula C18H13Cl2N3O3 and a molecular weight of 390.23 g/mol. Its IUPAC name is N-[5-[(4,5-dichloro-2-pyridinyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4,5-dichloro-2-pyridinyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID75512395
Molecular FormulaC18H13Cl2N3O3
Molecular Weight390.23 g/mol
Exact Mass389.03
IUPAC NameN-[5-[(4,5-dichloro-2-pyridinyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)c(Cl)cn2)cc1NC(=O)c1ccco1
InChIInChI=1S/C18H13Cl2N3O3/c1-10-4-5-11(7-14(10)22-18(25)15-3-2-6-26-15)17(24)23-16-8-12(19)13(20)9-21-16/h2-9H,1H3,(H,22,25)(H,21,23,24)
InChIKeySQUFYGTVDUHJKT-UHFFFAOYSA-N
XLogP4.79
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51148221
N-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 26665761
N-[5-[(3-chlorophenyl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51158750
N-[5-[(3-methoxybenzoyl)amino]-4-methyl-2-pyridinyl]furan-2-carboxamide
CID 652601
N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1365415
N-[5-[(3-carbamoylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 78779252
N-[5-(1H-indazol-5-ylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 51329615
N-[2-methyl-5-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
CID 30266978
N-[5-[(2-ethyl-6-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 8761819
[2-(4-chlorophenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4802237
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2357454
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4,5-dichloro-2-pyridinyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[(4,5-dichloro-2-pyridinyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide (CID 75512395) is N-[5-[(4,5-dichloro-2-pyridinyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(4,5-dichloro-2-pyridinyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(4,5-dichloro-2-pyridinyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)Nc2cc(Cl)c(Cl)cn2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-[(4,5-dichloro-2-pyridinyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is SQUFYGTVDUHJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O3/c1-10-4-5-11(7-14(10)22-18(25)15-3-2-6-26-15)17(24)23-16-8-12(19)13(20)9-21-16/h2-9H,1H3,(H,22,25)(H,21,23,24).
What are the key properties of N-[5-[(4,5-dichloro-2-pyridinyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[(4,5-dichloro-2-pyridinyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 390.23 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4,5-dichloro-2-pyridinyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 75512395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).