2-amino-N-[4-(difluoromethoxy)phenyl]butanediamide;hydrochloride

C11H14ClF2N3O3 — CID 119955811

IUPAC2-amino-N-[4-(difluoromethoxy)phenyl]butanediamide;hydrochloride
SMILESCl.NC(=O)CC(N)C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C11H13F2N3O3.ClH/c12-11(13)19-7-3-1-6(2-4-7)16-10(18)8(14)5-9(15)17;/h1-4,8,11H,5,14H2,(H2,15,17)(H,16,18);1H
InChIKeyJXOXQAVATBHOTC-UHFFFAOYSA-N
MW309.70 g/mol
LogP0.85
Rot. Bonds6

About 2-amino-N-[4-(difluoromethoxy)phenyl]butanediamide;hydrochloride

2-amino-N-[4-(difluoromethoxy)phenyl]butanediamide;hydrochloride (PubChem CID 119955811) has the molecular formula C11H14ClF2N3O3 and a molecular weight of 309.70 g/mol. Its IUPAC name is 2-amino-N-[4-(difluoromethoxy)phenyl]butanediamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(difluoromethoxy)phenyl]butanediamide;hydrochloride
PubChem CID119955811
Molecular FormulaC11H14ClF2N3O3
Molecular Weight309.70 g/mol
Exact Mass309.07
IUPAC Name2-amino-N-[4-(difluoromethoxy)phenyl]butanediamide;hydrochloride
SMILESCl.NC(=O)CC(N)C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C11H13F2N3O3.ClH/c12-11(13)19-7-3-1-6(2-4-7)16-10(18)8(14)5-9(15)17;/h1-4,8,11H,5,14H2,(H2,15,17)(H,16,18);1H
InChIKeyJXOXQAVATBHOTC-UHFFFAOYSA-N
XLogP0.85
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.70
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-phenylbutanediamide;dihydrochloride
CID 70455433
2-amino-N-(4-chlorophenyl)butanediamide
CID 60846546
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
(2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 32554575
(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]propanamide
CID 29059969
2-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]-4,4-dimethylpentanamide
CID 107471121
(2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 22691065
2-amino-N-(4-nitrophenyl)butanediamide
CID 54928056
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride
CID 119707765
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide
CID 60938031
2-amino-N-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 115286009

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(difluoromethoxy)phenyl]butanediamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-(difluoromethoxy)phenyl]butanediamide;hydrochloride (CID 119955811) is 2-amino-N-[4-(difluoromethoxy)phenyl]butanediamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-(difluoromethoxy)phenyl]butanediamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-(difluoromethoxy)phenyl]butanediamide;hydrochloride is Cl.NC(=O)CC(N)C(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-amino-N-[4-(difluoromethoxy)phenyl]butanediamide;hydrochloride?
The InChIKey is JXOXQAVATBHOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O3.ClH/c12-11(13)19-7-3-1-6(2-4-7)16-10(18)8(14)5-9(15)17;/h1-4,8,11H,5,14H2,(H2,15,17)(H,16,18);1H.
What are the key properties of 2-amino-N-[4-(difluoromethoxy)phenyl]butanediamide;hydrochloride?
2-amino-N-[4-(difluoromethoxy)phenyl]butanediamide;hydrochloride has a molecular weight of 309.70 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(difluoromethoxy)phenyl]butanediamide;hydrochloride is sourced from PubChem (CID 119955811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).