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

C17H18Cl2N4O2 — CID 60546451

IUPACN-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccnc(C)n1
InChIInChI=1S/C17H18Cl2N4O2/c1-3-8-23(17(25)14-6-7-20-11(2)21-14)10-16(24)22-15-9-12(18)4-5-13(15)19/h4-7,9H,3,8,10H2,1-2H3,(H,22,24)
InChIKeyIAUADVDZQAGWJN-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.58
Rot. Bonds6

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

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylpyrimidine-4-carboxamide (PubChem CID 60546451) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylpyrimidine-4-carboxamide
PubChem CID60546451
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccnc(C)n1
InChIInChI=1S/C17H18Cl2N4O2/c1-3-8-23(17(25)14-6-7-20-11(2)21-14)10-16(24)22-15-9-12(18)4-5-13(15)19/h4-7,9H,3,8,10H2,1-2H3,(H,22,24)
InChIKeyIAUADVDZQAGWJN-UHFFFAOYSA-N
XLogP3.58
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 7696648
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-6-methyl-N-propylpyridine-3-carboxamide
CID 51330638
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-7-methyl-N-propylimidazo[1,2-a]pyridine-2-carboxamide
CID 28541756
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
2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
CID 2452334
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methoxy-N-propylpyridine-3-carboxamide
CID 134062156
N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide
CID 56538621
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylhexanamide
CID 55328661
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide
CID 60521050
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide
CID 52892061
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42977412

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylpyrimidine-4-carboxamide (CID 60546451) is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylpyrimidine-4-carboxamide is CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccnc(C)n1.
What is the InChIKey of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylpyrimidine-4-carboxamide?
The InChIKey is IAUADVDZQAGWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2/c1-3-8-23(17(25)14-6-7-20-11(2)21-14)10-16(24)22-15-9-12(18)4-5-13(15)19/h4-7,9H,3,8,10H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylpyrimidine-4-carboxamide?
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylpyrimidine-4-carboxamide has a molecular weight of 381.26 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 60546451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).