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

C17H17Cl2N3O2 — CID 54835369

IUPACN-[4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H17Cl2N3O2/c1-2-16(23)21-14-5-3-13(4-6-14)20-10-17(24)22-15-8-11(18)7-12(19)9-15/h3-9,20H,2,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyLOHXMIPEGPRVPT-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.39
Rot. Bonds6

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

N-[4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]phenyl]propanamide (PubChem CID 54835369) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is N-[4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]phenyl]propanamide
PubChem CID54835369
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC NameN-[4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H17Cl2N3O2/c1-2-16(23)21-14-5-3-13(4-6-14)20-10-17(24)22-15-8-11(18)7-12(19)9-15/h3-9,20H,2,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyLOHXMIPEGPRVPT-UHFFFAOYSA-N
XLogP4.39
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835550
N-[4-[(3,5-dichlorophenyl)methylamino]phenyl]propanamide
CID 60790033
4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54836247
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide
CID 54813242
ethyl 4-[[2-(3,5-dichloroanilino)acetyl]amino]benzoate
CID 109011040
2-(3-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54809235
N-(3,5-dichlorophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825678
N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]propanamide
CID 54810223
N-(4-acetamidophenyl)-2-(4-chloroanilino)acetamide
CID 2604426
N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54811266
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide
CID 54814253
N-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]acetamide
CID 54821699

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]phenyl]propanamide (CID 54835369) is N-[4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(NCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-[4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]phenyl]propanamide?
The InChIKey is LOHXMIPEGPRVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-2-16(23)21-14-5-3-13(4-6-14)20-10-17(24)22-15-8-11(18)7-12(19)9-15/h3-9,20H,2,10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]phenyl]propanamide?
N-[4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]phenyl]propanamide has a molecular weight of 366.25 g/mol, XLogP of 4.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54835369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).