1-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclopropane-1-carboxamide;dihydrochloride

C15H22Cl2FN3O2 — CID 119892314

IUPAC1-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)Nc2ccc(NCC3CCCO3)c(F)c2)CC1
InChIInChI=1S/C15H20FN3O2.2ClH/c16-12-8-10(19-14(20)15(17)5-6-15)3-4-13(12)18-9-11-2-1-7-21-11;;/h3-4,8,11,18H,1-2,5-7,9,17H2,(H,19,20);2*1H
InChIKeyIIQCGZPBPDQNRC-UHFFFAOYSA-N
MW366.26 g/mol
LogP2.69
Rot. Bonds5

About 1-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclopropane-1-carboxamide;dihydrochloride

1-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclopropane-1-carboxamide;dihydrochloride (PubChem CID 119892314) has the molecular formula C15H22Cl2FN3O2 and a molecular weight of 366.26 g/mol. Its IUPAC name is 1-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclopropane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclopropane-1-carboxamide;dihydrochloride
PubChem CID119892314
Molecular FormulaC15H22Cl2FN3O2
Molecular Weight366.26 g/mol
Exact Mass365.11
IUPAC Name1-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)Nc2ccc(NCC3CCCO3)c(F)c2)CC1
InChIInChI=1S/C15H20FN3O2.2ClH/c16-12-8-10(19-14(20)15(17)5-6-15)3-4-13(12)18-9-11-2-1-7-21-11;;/h3-4,8,11,18H,1-2,5-7,9,17H2,(H,19,20);2*1H
InChIKeyIIQCGZPBPDQNRC-UHFFFAOYSA-N
XLogP2.69
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclohexane-1-carboxamide
CID 56794269
3-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methylbutanamide;dihydrochloride
CID 120504135
2-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800997
7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide
CID 119892317
2-chloro-N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-1,3-thiazole-4-carboxamide
CID 97309960
N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119892357
4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119186214
N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide
CID 95774376
3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide
CID 95633182
N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide
CID 126768224
1-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119283523
5-(carbamothioylamino)-2-(oxolan-2-ylmethylamino)benzoic acid
CID 169357000

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclopropane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclopropane-1-carboxamide;dihydrochloride (CID 119892314) is 1-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclopropane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclopropane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclopropane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)Nc2ccc(NCC3CCCO3)c(F)c2)CC1.
What is the InChIKey of 1-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclopropane-1-carboxamide;dihydrochloride?
The InChIKey is IIQCGZPBPDQNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2.2ClH/c16-12-8-10(19-14(20)15(17)5-6-15)3-4-13(12)18-9-11-2-1-7-21-11;;/h3-4,8,11,18H,1-2,5-7,9,17H2,(H,19,20);2*1H.
What are the key properties of 1-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclopropane-1-carboxamide;dihydrochloride?
1-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclopropane-1-carboxamide;dihydrochloride has a molecular weight of 366.26 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclopropane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119892314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).