N-(3,4-dichlorophenyl)-3-(dimethylcarbamoylamino)-4-methoxybenzamide

C17H17Cl2N3O3 — CID 118878026

IUPACN-(3,4-dichlorophenyl)-3-(dimethylcarbamoylamino)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1NC(=O)N(C)C
InChIInChI=1S/C17H17Cl2N3O3/c1-22(2)17(24)21-14-8-10(4-7-15(14)25-3)16(23)20-11-5-6-12(18)13(19)9-11/h4-9H,1-3H3,(H,20,23)(H,21,24)
InChIKeyFWOYJUDADGUONF-UHFFFAOYSA-N
MW382.25 g/mol
LogP4.35
Rot. Bonds4

About N-(3,4-dichlorophenyl)-3-(dimethylcarbamoylamino)-4-methoxybenzamide

N-(3,4-dichlorophenyl)-3-(dimethylcarbamoylamino)-4-methoxybenzamide (PubChem CID 118878026) has the molecular formula C17H17Cl2N3O3 and a molecular weight of 382.25 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(dimethylcarbamoylamino)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(dimethylcarbamoylamino)-4-methoxybenzamide
PubChem CID118878026
Molecular FormulaC17H17Cl2N3O3
Molecular Weight382.25 g/mol
Exact Mass381.06
IUPAC NameN-(3,4-dichlorophenyl)-3-(dimethylcarbamoylamino)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1NC(=O)N(C)C
InChIInChI=1S/C17H17Cl2N3O3/c1-22(2)17(24)21-14-8-10(4-7-15(14)25-3)16(23)20-11-5-6-12(18)13(19)9-11/h4-9H,1-3H3,(H,20,23)(H,21,24)
InChIKeyFWOYJUDADGUONF-UHFFFAOYSA-N
XLogP4.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(3,4-dichlorophenyl)carbamoyl]-2-methoxyphenyl]adamantane-2-carboxamide
CID 118878029
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
N-(3,4-dichlorophenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36859467
N-(3,4-dichlorophenyl)-4-methoxy-3-(thiophen-2-ylmethylamino)benzamide
CID 18626261
3-[(3,4-dichlorophenyl)carbamoyl-sulfanylamino]-4-methoxy-N-phenylbenzamide
CID 56984585
4-amino-N-(3-chloro-4-methoxyphenyl)-3-hydrazinylbenzamide
CID 143165536
3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea
CID 175137173
N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 45374065
N-(5-acetamido-2-methoxyphenyl)-4-chloro-3-nitrobenzamide
CID 26243257
3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 18626096

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(dimethylcarbamoylamino)-4-methoxybenzamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(dimethylcarbamoylamino)-4-methoxybenzamide (CID 118878026) is N-(3,4-dichlorophenyl)-3-(dimethylcarbamoylamino)-4-methoxybenzamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(dimethylcarbamoylamino)-4-methoxybenzamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(dimethylcarbamoylamino)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1NC(=O)N(C)C.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(dimethylcarbamoylamino)-4-methoxybenzamide?
The InChIKey is FWOYJUDADGUONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3/c1-22(2)17(24)21-14-8-10(4-7-15(14)25-3)16(23)20-11-5-6-12(18)13(19)9-11/h4-9H,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-(3,4-dichlorophenyl)-3-(dimethylcarbamoylamino)-4-methoxybenzamide?
N-(3,4-dichlorophenyl)-3-(dimethylcarbamoylamino)-4-methoxybenzamide has a molecular weight of 382.25 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-(dimethylcarbamoylamino)-4-methoxybenzamide is sourced from PubChem (CID 118878026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).