4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide

C18H19Cl2N3O2 — CID 54836247

IUPAC4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C18H19Cl2N3O2/c1-2-7-21-18(25)12-3-5-15(6-4-12)22-11-17(24)23-16-9-13(19)8-14(20)10-16/h3-6,8-10,22H,2,7,11H2,1H3,(H,21,25)(H,23,24)
InChIKeyCFCUSFLDIRHKBL-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.18
Rot. Bonds7

About 4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide

4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide (PubChem CID 54836247) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is 4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
PubChem CID54836247
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC Name4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C18H19Cl2N3O2/c1-2-7-21-18(25)12-3-5-15(6-4-12)22-11-17(24)23-16-9-13(19)8-14(20)10-16/h3-6,8-10,22H,2,7,11H2,1H3,(H,21,25)(H,23,24)
InChIKeyCFCUSFLDIRHKBL-UHFFFAOYSA-N
XLogP4.18
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838861
4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide
CID 54809400
4-N-(3,5-dichlorophenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109043049
4-[[2-(4-fluoroanilino)acetyl]amino]-N-propylbenzamide
CID 54813322
4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide
CID 54811079
4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide
CID 54840845
N-benzyl-4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]benzamide
CID 54844035
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
N-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide
CID 54809138
N-[4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835369
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide
CID 46756068
4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54835804

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide (CID 54836247) is 4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(NCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide?
The InChIKey is CFCUSFLDIRHKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-2-7-21-18(25)12-3-5-15(6-4-12)22-11-17(24)23-16-9-13(19)8-14(20)10-16/h3-6,8-10,22H,2,7,11H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide?
4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide has a molecular weight of 380.28 g/mol, XLogP of 4.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide is sourced from PubChem (CID 54836247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).