N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide

C19H21Cl2N3O2 — CID 78894069

IUPACN-[(3,4-dichlorophenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H21Cl2N3O2/c1-12(2)22-19(26)23-15-7-5-14(6-8-15)18(25)24(3)11-13-4-9-16(20)17(21)10-13/h4-10,12H,11H2,1-3H3,(H2,22,23,26)
InChIKeyJBTNNZLPQAWFLL-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.80
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide

N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 78894069) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide
PubChem CID78894069
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H21Cl2N3O2/c1-12(2)22-19(26)23-15-7-5-14(6-8-15)18(25)24(3)11-13-4-9-16(20)17(21)10-13/h4-10,12H,11H2,1-3H3,(H2,22,23,26)
InChIKeyJBTNNZLPQAWFLL-UHFFFAOYSA-N
XLogP4.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(carbamoylamino)-N-[(3,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 26069791
N-[(3-methoxyphenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide
CID 55821646
N-[(3-chlorophenyl)methyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 55648297
4-chloro-3-iodo-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 46456497
1-[4-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]phenyl]-3-propan-2-ylurea
CID 56581852
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60938287
4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 123178559
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 43167904
4-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-N-methylbenzamide
CID 119048371
N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide
CID 60628401
2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide
CID 78771053
N-[(3,4-dichlorophenyl)methyl]-3-iodo-N-methylbenzamide
CID 60628796

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide (CID 78894069) is N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide is CC(C)NC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is JBTNNZLPQAWFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-12(2)22-19(26)23-15-7-5-14(6-8-15)18(25)24(3)11-13-4-9-16(20)17(21)10-13/h4-10,12H,11H2,1-3H3,(H2,22,23,26).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide?
N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 394.30 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 78894069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).