2-(3,4-dichloroanilino)-1-[(3R)-3-(oxan-4-ylamino)pyrrolidin-1-yl]ethanone

C17H23Cl2N3O2 — CID 59764811

IUPAC2-(3,4-dichloroanilino)-1-[(3R)-3-(oxan-4-ylamino)pyrrolidin-1-yl]ethanone
SMILESO=C(CNc1ccc(Cl)c(Cl)c1)N1CC[C@@H](NC2CCOCC2)C1
InChIInChI=1S/C17H23Cl2N3O2/c18-15-2-1-13(9-16(15)19)20-10-17(23)22-6-3-14(11-22)21-12-4-7-24-8-5-12/h1-2,9,12,14,20-21H,3-8,10-11H2/t14-/m1/s1
InChIKeySNVYYSFOXAZAFU-CQSZACIVSA-N
MW372.30 g/mol
LogP2.77
Rot. Bonds5

About 2-(3,4-dichloroanilino)-1-[(3R)-3-(oxan-4-ylamino)pyrrolidin-1-yl]ethanone

2-(3,4-dichloroanilino)-1-[(3R)-3-(oxan-4-ylamino)pyrrolidin-1-yl]ethanone (PubChem CID 59764811) has the molecular formula C17H23Cl2N3O2 and a molecular weight of 372.30 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-1-[(3R)-3-(oxan-4-ylamino)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-1-[(3R)-3-(oxan-4-ylamino)pyrrolidin-1-yl]ethanone
PubChem CID59764811
Molecular FormulaC17H23Cl2N3O2
Molecular Weight372.30 g/mol
Exact Mass371.12
IUPAC Name2-(3,4-dichloroanilino)-1-[(3R)-3-(oxan-4-ylamino)pyrrolidin-1-yl]ethanone
SMILESO=C(CNc1ccc(Cl)c(Cl)c1)N1CC[C@@H](NC2CCOCC2)C1
InChIInChI=1S/C17H23Cl2N3O2/c18-15-2-1-13(9-16(15)19)20-10-17(23)22-6-3-14(11-22)21-12-4-7-24-8-5-12/h1-2,9,12,14,20-21H,3-8,10-11H2/t14-/m1/s1
InChIKeySNVYYSFOXAZAFU-CQSZACIVSA-N
XLogP2.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dichloroanilino)-1-[(3R)-3-(oxan-4-ylamino)pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

2-(3,4-dichloroanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 109003341
2-(3,4-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 109002268
2-[(6,7-dichloroquinazolin-4-yl)amino]-1-[(3R)-3-(oxan-3-ylamino)pyrrolidin-1-yl]ethanone
CID 59765019
3,4-dichloro-N-[2-[3-[[(3S)-3-methoxyoxan-4-yl]amino]pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 59764956
2-(3,4-dichloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004702
cyclopropyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone
CID 172908968
2-(3-chloroanilino)-1-morpholin-4-ylethanone
CID 28580621
N-(cyclopentylcarbamoyl)-2-(3,4-dichloroanilino)acetamide
CID 18096476
N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 6456922
2-chloro-5-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]amino]benzonitrile
CID 124571083
2-(3-chloro-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 39369835
2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119562541

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-1-[(3R)-3-(oxan-4-ylamino)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dichloroanilino)-1-[(3R)-3-(oxan-4-ylamino)pyrrolidin-1-yl]ethanone (CID 59764811) is 2-(3,4-dichloroanilino)-1-[(3R)-3-(oxan-4-ylamino)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dichloroanilino)-1-[(3R)-3-(oxan-4-ylamino)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dichloroanilino)-1-[(3R)-3-(oxan-4-ylamino)pyrrolidin-1-yl]ethanone is O=C(CNc1ccc(Cl)c(Cl)c1)N1CC[C@@H](NC2CCOCC2)C1.
What is the InChIKey of 2-(3,4-dichloroanilino)-1-[(3R)-3-(oxan-4-ylamino)pyrrolidin-1-yl]ethanone?
The InChIKey is SNVYYSFOXAZAFU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23Cl2N3O2/c18-15-2-1-13(9-16(15)19)20-10-17(23)22-6-3-14(11-22)21-12-4-7-24-8-5-12/h1-2,9,12,14,20-21H,3-8,10-11H2/t14-/m1/s1.
What are the key properties of 2-(3,4-dichloroanilino)-1-[(3R)-3-(oxan-4-ylamino)pyrrolidin-1-yl]ethanone?
2-(3,4-dichloroanilino)-1-[(3R)-3-(oxan-4-ylamino)pyrrolidin-1-yl]ethanone has a molecular weight of 372.30 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-1-[(3R)-3-(oxan-4-ylamino)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 59764811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).