2-chloro-N-[[3-chloro-4-[(5-cyano-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]benzamide

C22H16Cl2N4O3 — CID 19072639

IUPAC2-chloro-N-[[3-chloro-4-[(5-cyano-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]benzamide
SMILESCc1cc(NC(=O)NC(=O)c2ccccc2Cl)c(C)c(Cl)c1Oc1ccc(C#N)cn1
InChIInChI=1S/C22H16Cl2N4O3/c1-12-9-17(27-22(30)28-21(29)15-5-3-4-6-16(15)23)13(2)19(24)20(12)31-18-8-7-14(10-25)11-26-18/h3-9,11H,1-2H3,(H2,27,28,29,30)
InChIKeyLSPRCFQGVWTLQF-UHFFFAOYSA-N
MW455.30 g/mol
LogP5.63
Rot. Bonds4

About 2-chloro-N-[[3-chloro-4-[(5-cyano-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]benzamide

2-chloro-N-[[3-chloro-4-[(5-cyano-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]benzamide (PubChem CID 19072639) has the molecular formula C22H16Cl2N4O3 and a molecular weight of 455.30 g/mol. Its IUPAC name is 2-chloro-N-[[3-chloro-4-[(5-cyano-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[3-chloro-4-[(5-cyano-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]benzamide
PubChem CID19072639
Molecular FormulaC22H16Cl2N4O3
Molecular Weight455.30 g/mol
Exact Mass454.06
IUPAC Name2-chloro-N-[[3-chloro-4-[(5-cyano-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]benzamide
SMILESCc1cc(NC(=O)NC(=O)c2ccccc2Cl)c(C)c(Cl)c1Oc1ccc(C#N)cn1
InChIInChI=1S/C22H16Cl2N4O3/c1-12-9-17(27-22(30)28-21(29)15-5-3-4-6-16(15)23)13(2)19(24)20(12)31-18-8-7-14(10-25)11-26-18/h3-9,11H,1-2H3,(H2,27,28,29,30)
InChIKeyLSPRCFQGVWTLQF-UHFFFAOYSA-N
XLogP5.63
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.30
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[[3-chloro-4-(4-cyano-2-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide
CID 14820748
N-[[3-chloro-4-[(5-cyano-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamothioyl]-2,6-difluorobenzamide
CID 19072923
2-chloro-N-[[3-chloro-4-(2,4-dimethylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide
CID 14626055
N-[[3-chloro-4-(4-cyano-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-fluorobenzamide
CID 19072641
2-chloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfonylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide
CID 19073005
2-chloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide
CID 19073071
N-[[4-[(4-amino-2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-3-chloro-2,5-dimethylphenyl]carbamoyl]-2-chlorobenzamide
CID 19935020
N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 19072643
N-[[3-chloro-4-(4-chloro-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-methoxybenzamide
CID 19072789
2-chloro-N-[[3-chloro-4-[4-(4-chlorobenzoyl)phenoxy]-2,5-dimethylphenyl]carbamothioyl]benzamide
CID 23311666
N-[[3-chloro-2,5-dimethyl-4-(2-methylphenoxy)phenyl]carbamothioyl]-2-methylbenzamide
CID 19072963
2,6-dichloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide
CID 19072595

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-chloro-4-[(5-cyano-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[3-chloro-4-[(5-cyano-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]benzamide (CID 19072639) is 2-chloro-N-[[3-chloro-4-[(5-cyano-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[3-chloro-4-[(5-cyano-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[3-chloro-4-[(5-cyano-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]benzamide is Cc1cc(NC(=O)NC(=O)c2ccccc2Cl)c(C)c(Cl)c1Oc1ccc(C#N)cn1.
What is the InChIKey of 2-chloro-N-[[3-chloro-4-[(5-cyano-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]benzamide?
The InChIKey is LSPRCFQGVWTLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4O3/c1-12-9-17(27-22(30)28-21(29)15-5-3-4-6-16(15)23)13(2)19(24)20(12)31-18-8-7-14(10-25)11-26-18/h3-9,11H,1-2H3,(H2,27,28,29,30).
What are the key properties of 2-chloro-N-[[3-chloro-4-[(5-cyano-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]benzamide?
2-chloro-N-[[3-chloro-4-[(5-cyano-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]benzamide has a molecular weight of 455.30 g/mol, XLogP of 5.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-chloro-4-[(5-cyano-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]benzamide is sourced from PubChem (CID 19072639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).