N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide

C19H20Cl2N2O2 — CID 7696648

IUPACN-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(C)cc1
InChIInChI=1S/C19H20Cl2N2O2/c1-3-10-23(19(25)14-6-4-13(2)5-7-14)12-18(24)22-17-11-15(20)8-9-16(17)21/h4-9,11H,3,10,12H2,1-2H3,(H,22,24)
InChIKeyVLDPCIUMKZMGMJ-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.79
Rot. Bonds6

About N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide (PubChem CID 7696648) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide.

Molecular Properties

Compound NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide
PubChem CID7696648
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(C)cc1
InChIInChI=1S/C19H20Cl2N2O2/c1-3-10-23(19(25)14-6-4-13(2)5-7-14)12-18(24)22-17-11-15(20)8-9-16(17)21/h4-9,11H,3,10,12H2,1-2H3,(H,22,24)
InChIKeyVLDPCIUMKZMGMJ-UHFFFAOYSA-N
XLogP4.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3,4-dimethyl-N-propylbenzamide
CID 112789981
3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 7930247
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-6-methyl-N-propylpyridine-3-carboxamide
CID 51330638
2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
CID 2452334
4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 27793697
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2,4-dimethyl-N-propylbenzamide
CID 52892887
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 60546451
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylhexanamide
CID 55328661
N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide
CID 56538621
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-hydroxyphenyl)-N-propylacetamide
CID 78806558
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42977412
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-7-methyl-N-propylimidazo[1,2-a]pyridine-2-carboxamide
CID 28541756

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide?
The IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide (CID 7696648) is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide.
What is the SMILES notation for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide?
The canonical SMILES for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide is CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide?
The InChIKey is VLDPCIUMKZMGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-3-10-23(19(25)14-6-4-13(2)5-7-14)12-18(24)22-17-11-15(20)8-9-16(17)21/h4-9,11H,3,10,12H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide?
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide has a molecular weight of 379.29 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide is sourced from PubChem (CID 7696648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).