N-(3,4-dichlorophenyl)-4-methoxy-3-(thiophen-2-ylmethylamino)benzamide

C19H16Cl2N2O2S — CID 18626261

IUPACN-(3,4-dichlorophenyl)-4-methoxy-3-(thiophen-2-ylmethylamino)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1NCc1cccs1
InChIInChI=1S/C19H16Cl2N2O2S/c1-25-18-7-4-12(9-17(18)22-11-14-3-2-8-26-14)19(24)23-13-5-6-15(20)16(21)10-13/h2-10,22H,11H2,1H3,(H,23,24)
InChIKeyZXFKURAGVPASAN-UHFFFAOYSA-N
MW407.32 g/mol
LogP5.93
Rot. Bonds6

About N-(3,4-dichlorophenyl)-4-methoxy-3-(thiophen-2-ylmethylamino)benzamide

N-(3,4-dichlorophenyl)-4-methoxy-3-(thiophen-2-ylmethylamino)benzamide (PubChem CID 18626261) has the molecular formula C19H16Cl2N2O2S and a molecular weight of 407.32 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-methoxy-3-(thiophen-2-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-methoxy-3-(thiophen-2-ylmethylamino)benzamide
PubChem CID18626261
Molecular FormulaC19H16Cl2N2O2S
Molecular Weight407.32 g/mol
Exact Mass406.03
IUPAC NameN-(3,4-dichlorophenyl)-4-methoxy-3-(thiophen-2-ylmethylamino)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1NCc1cccs1
InChIInChI=1S/C19H16Cl2N2O2S/c1-25-18-7-4-12(9-17(18)22-11-14-3-2-8-26-14)19(24)23-13-5-6-15(20)16(21)10-13/h2-10,22H,11H2,1H3,(H,23,24)
InChIKeyZXFKURAGVPASAN-UHFFFAOYSA-N
XLogP5.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.32
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[4-methoxy-3-(thiophen-2-ylmethylamino)phenyl]benzamide
CID 18626121
N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161499
N-(3,4-dichlorophenyl)-3-(dimethylcarbamoylamino)-4-methoxybenzamide
CID 118878026
N-[4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]acetamide
CID 75499167
N-(3,4-dichlorophenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36859467
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)thiophene-2-carboxamide
CID 878235
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-[5-[(3,4-dichlorophenyl)carbamoyl]-2-methoxyphenyl]adamantane-2-carboxamide
CID 118878029
N-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770
N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide
CID 43739569

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-methoxy-3-(thiophen-2-ylmethylamino)benzamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-methoxy-3-(thiophen-2-ylmethylamino)benzamide (CID 18626261) is N-(3,4-dichlorophenyl)-4-methoxy-3-(thiophen-2-ylmethylamino)benzamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-methoxy-3-(thiophen-2-ylmethylamino)benzamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-methoxy-3-(thiophen-2-ylmethylamino)benzamide is COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1NCc1cccs1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-methoxy-3-(thiophen-2-ylmethylamino)benzamide?
The InChIKey is ZXFKURAGVPASAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2S/c1-25-18-7-4-12(9-17(18)22-11-14-3-2-8-26-14)19(24)23-13-5-6-15(20)16(21)10-13/h2-10,22H,11H2,1H3,(H,23,24).
What are the key properties of N-(3,4-dichlorophenyl)-4-methoxy-3-(thiophen-2-ylmethylamino)benzamide?
N-(3,4-dichlorophenyl)-4-methoxy-3-(thiophen-2-ylmethylamino)benzamide has a molecular weight of 407.32 g/mol, XLogP of 5.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-methoxy-3-(thiophen-2-ylmethylamino)benzamide is sourced from PubChem (CID 18626261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).