N-[5-[(3,4-dichlorophenyl)carbamoyl]-2-methoxyphenyl]adamantane-2-carboxamide

C25H26Cl2N2O3 — CID 118878029

IUPACN-[5-[(3,4-dichlorophenyl)carbamoyl]-2-methoxyphenyl]adamantane-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1NC(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C25H26Cl2N2O3/c1-32-22-5-2-15(24(30)28-18-3-4-19(26)20(27)12-18)11-21(22)29-25(31)23-16-7-13-6-14(9-16)10-17(23)8-13/h2-5,11-14,16-17,23H,6-10H2,1H3,(H,28,30)(H,29,31)
InChIKeyHHYQQUGLIIZLDT-UHFFFAOYSA-N
MW473.40 g/mol
LogP6.27
Rot. Bonds5

About N-[5-[(3,4-dichlorophenyl)carbamoyl]-2-methoxyphenyl]adamantane-2-carboxamide

N-[5-[(3,4-dichlorophenyl)carbamoyl]-2-methoxyphenyl]adamantane-2-carboxamide (PubChem CID 118878029) has the molecular formula C25H26Cl2N2O3 and a molecular weight of 473.40 g/mol. Its IUPAC name is N-[5-[(3,4-dichlorophenyl)carbamoyl]-2-methoxyphenyl]adamantane-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3,4-dichlorophenyl)carbamoyl]-2-methoxyphenyl]adamantane-2-carboxamide
PubChem CID118878029
Molecular FormulaC25H26Cl2N2O3
Molecular Weight473.40 g/mol
Exact Mass472.13
IUPAC NameN-[5-[(3,4-dichlorophenyl)carbamoyl]-2-methoxyphenyl]adamantane-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1NC(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C25H26Cl2N2O3/c1-32-22-5-2-15(24(30)28-18-3-4-19(26)20(27)12-18)11-21(22)29-25(31)23-16-7-13-6-14(9-16)10-17(23)8-13/h2-5,11-14,16-17,23H,6-10H2,1H3,(H,28,30)(H,29,31)
InChIKeyHHYQQUGLIIZLDT-UHFFFAOYSA-N
XLogP6.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.40
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-3-(dimethylcarbamoylamino)-4-methoxybenzamide
CID 118878026
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
N-(3,4-dichlorophenyl)-3-[(3,5-dichlorophenyl)sulfonylamino]-4-methoxybenzamide
CID 18626055
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
4-butoxy-3-(cyclobutanecarbonylamino)-N-(3,4-dichlorophenyl)benzamide
CID 118877989
N-(3,4-dichlorophenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36859467
4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043380
N-(3-chloro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18150443
N-(3,4-dichlorophenyl)-4-methoxy-3-(thiophen-2-ylmethylamino)benzamide
CID 18626261
4-amino-N-(3-chloro-4-methoxyphenyl)-3-hydrazinylbenzamide
CID 143165536
N-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 35347425
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dichlorophenyl)carbamoyl]-2-methoxyphenyl]adamantane-2-carboxamide?
The IUPAC name of N-[5-[(3,4-dichlorophenyl)carbamoyl]-2-methoxyphenyl]adamantane-2-carboxamide (CID 118878029) is N-[5-[(3,4-dichlorophenyl)carbamoyl]-2-methoxyphenyl]adamantane-2-carboxamide.
What is the SMILES notation for N-[5-[(3,4-dichlorophenyl)carbamoyl]-2-methoxyphenyl]adamantane-2-carboxamide?
The canonical SMILES for N-[5-[(3,4-dichlorophenyl)carbamoyl]-2-methoxyphenyl]adamantane-2-carboxamide is COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1NC(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[5-[(3,4-dichlorophenyl)carbamoyl]-2-methoxyphenyl]adamantane-2-carboxamide?
The InChIKey is HHYQQUGLIIZLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N2O3/c1-32-22-5-2-15(24(30)28-18-3-4-19(26)20(27)12-18)11-21(22)29-25(31)23-16-7-13-6-14(9-16)10-17(23)8-13/h2-5,11-14,16-17,23H,6-10H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[5-[(3,4-dichlorophenyl)carbamoyl]-2-methoxyphenyl]adamantane-2-carboxamide?
N-[5-[(3,4-dichlorophenyl)carbamoyl]-2-methoxyphenyl]adamantane-2-carboxamide has a molecular weight of 473.40 g/mol, XLogP of 6.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-dichlorophenyl)carbamoyl]-2-methoxyphenyl]adamantane-2-carboxamide is sourced from PubChem (CID 118878029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).