2-chloro-N-[6-(2-chlorobutanoylamino)acridin-3-yl]butanamide

C21H21Cl2N3O2 — CID 21438228

IUPAC2-chloro-N-[6-(2-chlorobutanoylamino)acridin-3-yl]butanamide
SMILESCCC(Cl)C(=O)Nc1ccc2cc3ccc(NC(=O)C(Cl)CC)cc3nc2c1
InChIInChI=1S/C21H21Cl2N3O2/c1-3-16(22)20(27)24-14-7-5-12-9-13-6-8-15(25-21(28)17(23)4-2)11-19(13)26-18(12)10-14/h5-11,16-17H,3-4H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyNHPNWFNRTGOYQN-UHFFFAOYSA-N
MW418.32 g/mol
LogP5.30
Rot. Bonds6

About 2-chloro-N-[6-(2-chlorobutanoylamino)acridin-3-yl]butanamide

2-chloro-N-[6-(2-chlorobutanoylamino)acridin-3-yl]butanamide (PubChem CID 21438228) has the molecular formula C21H21Cl2N3O2 and a molecular weight of 418.32 g/mol. Its IUPAC name is 2-chloro-N-[6-(2-chlorobutanoylamino)acridin-3-yl]butanamide.

Molecular Properties

Compound Name2-chloro-N-[6-(2-chlorobutanoylamino)acridin-3-yl]butanamide
PubChem CID21438228
Molecular FormulaC21H21Cl2N3O2
Molecular Weight418.32 g/mol
Exact Mass417.10
IUPAC Name2-chloro-N-[6-(2-chlorobutanoylamino)acridin-3-yl]butanamide
SMILESCCC(Cl)C(=O)Nc1ccc2cc3ccc(NC(=O)C(Cl)CC)cc3nc2c1
InChIInChI=1S/C21H21Cl2N3O2/c1-3-16(22)20(27)24-14-7-5-12-9-13-6-8-15(25-21(28)17(23)4-2)11-19(13)26-18(12)10-14/h5-11,16-17H,3-4H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyNHPNWFNRTGOYQN-UHFFFAOYSA-N
XLogP5.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.32
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(azepan-1-yl)-N-[6-[2-(azepan-1-yl)butanoylamino]acridin-3-yl]butanamide
CID 21438211
2-chloro-N-(3-ethylphenyl)butanamide
CID 20553592
1-(4-nitrophenyl)-3-[6-[(4-nitrophenyl)carbamoylamino]acridin-3-yl]urea
CID 22503858
2-chloro-N-quinoxalin-6-ylpropanamide
CID 60933766
(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
N-(6-aminoacridin-3-yl)-2-methylprop-2-enamide
CID 102477070
2-hexyl-1-[6-[(N'-hexylcarbamimidoyl)amino]acridin-3-yl]guanidine;hydrate;dihydrochloride
CID 71451715
2-bromo-N-(6-bromonaphthalen-2-yl)butanamide
CID 81260484
N-(2,3-dimethylquinoxalin-6-yl)propanamide
CID 110723790
2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide
CID 43711177
2,2-dichloro-N-(2,4-diaminoquinazolin-6-yl)acetamide;ethanol
CID 54599627
3-(4-methylpiperidin-1-yl)-N-[6-[3-(4-methylpiperidin-1-yl)propanoylamino]acridin-3-yl]propanamide
CID 24963056

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(2-chlorobutanoylamino)acridin-3-yl]butanamide?
The IUPAC name of 2-chloro-N-[6-(2-chlorobutanoylamino)acridin-3-yl]butanamide (CID 21438228) is 2-chloro-N-[6-(2-chlorobutanoylamino)acridin-3-yl]butanamide.
What is the SMILES notation for 2-chloro-N-[6-(2-chlorobutanoylamino)acridin-3-yl]butanamide?
The canonical SMILES for 2-chloro-N-[6-(2-chlorobutanoylamino)acridin-3-yl]butanamide is CCC(Cl)C(=O)Nc1ccc2cc3ccc(NC(=O)C(Cl)CC)cc3nc2c1.
What is the InChIKey of 2-chloro-N-[6-(2-chlorobutanoylamino)acridin-3-yl]butanamide?
The InChIKey is NHPNWFNRTGOYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O2/c1-3-16(22)20(27)24-14-7-5-12-9-13-6-8-15(25-21(28)17(23)4-2)11-19(13)26-18(12)10-14/h5-11,16-17H,3-4H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2-chloro-N-[6-(2-chlorobutanoylamino)acridin-3-yl]butanamide?
2-chloro-N-[6-(2-chlorobutanoylamino)acridin-3-yl]butanamide has a molecular weight of 418.32 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(2-chlorobutanoylamino)acridin-3-yl]butanamide is sourced from PubChem (CID 21438228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).