N-(cyclopentylcarbamoyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]propanamide

C16H19F2N3O4 — CID 55432296

IUPACN-(cyclopentylcarbamoyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]propanamide
SMILESCC(Nc1ccc2c(c1)OC(F)(F)O2)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C16H19F2N3O4/c1-9(14(22)21-15(23)20-10-4-2-3-5-10)19-11-6-7-12-13(8-11)25-16(17,18)24-12/h6-10,19H,2-5H2,1H3,(H2,20,21,22,23)
InChIKeyCJZBWXOWUSCVTQ-UHFFFAOYSA-N
MW355.34 g/mol
LogP2.58
Rot. Bonds4

About N-(cyclopentylcarbamoyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]propanamide

N-(cyclopentylcarbamoyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]propanamide (PubChem CID 55432296) has the molecular formula C16H19F2N3O4 and a molecular weight of 355.34 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]propanamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]propanamide
PubChem CID55432296
Molecular FormulaC16H19F2N3O4
Molecular Weight355.34 g/mol
Exact Mass355.13
IUPAC NameN-(cyclopentylcarbamoyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]propanamide
SMILESCC(Nc1ccc2c(c1)OC(F)(F)O2)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C16H19F2N3O4/c1-9(14(22)21-15(23)20-10-4-2-3-5-10)19-11-6-7-12-13(8-11)25-16(17,18)24-12/h6-10,19H,2-5H2,1H3,(H2,20,21,22,23)
InChIKeyCJZBWXOWUSCVTQ-UHFFFAOYSA-N
XLogP2.58
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylcarbamoyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 55511040
(2S)-N-(methylcarbamoyl)-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propanamide
CID 35644241
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-prop-2-ynylpropanamide
CID 43113643
N-butyl-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]propanamide
CID 43113642
N-cyclohexyl-2-(3-fluoroanilino)propanamide
CID 43083427
2-(3-chloro-4-methoxyanilino)-N-(cyclopropylcarbamoyl)propanamide
CID 51281599
N-(cyclopropylcarbamoyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652338
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
CID 95312643
2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide
CID 78907261
(2S)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-(2-ethoxyphenyl)propanamide
CID 37304550
(2R)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]propanoic acid
CID 78971830
(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide
CID 8005833

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]propanamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]propanamide (CID 55432296) is N-(cyclopentylcarbamoyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]propanamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]propanamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]propanamide is CC(Nc1ccc2c(c1)OC(F)(F)O2)C(=O)NC(=O)NC1CCCC1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]propanamide?
The InChIKey is CJZBWXOWUSCVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O4/c1-9(14(22)21-15(23)20-10-4-2-3-5-10)19-11-6-7-12-13(8-11)25-16(17,18)24-12/h6-10,19H,2-5H2,1H3,(H2,20,21,22,23).
What are the key properties of N-(cyclopentylcarbamoyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]propanamide?
N-(cyclopentylcarbamoyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]propanamide has a molecular weight of 355.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]propanamide is sourced from PubChem (CID 55432296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).