N-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]-2-chlorophenyl]furan-2-carboxamide;hydrochloride

C17H19Cl2N3O4 — CID 120789239

IUPACN-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]-2-chlorophenyl]furan-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)O1
InChIInChI=1S/C17H18ClN3O4.ClH/c18-12-8-10(20-17(23)15-6-4-11(9-19)25-15)3-5-13(12)21-16(22)14-2-1-7-24-14;/h1-3,5,7-8,11,15H,4,6,9,19H2,(H,20,23)(H,21,22);1H/t11-,15+;/m1./s1
InChIKeyLIPXLXVFXIGORF-BTAXJDQBSA-N
MW400.26 g/mol
LogP3.05
Rot. Bonds5

About N-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]-2-chlorophenyl]furan-2-carboxamide;hydrochloride

N-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]-2-chlorophenyl]furan-2-carboxamide;hydrochloride (PubChem CID 120789239) has the molecular formula C17H19Cl2N3O4 and a molecular weight of 400.26 g/mol. Its IUPAC name is N-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]-2-chlorophenyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]-2-chlorophenyl]furan-2-carboxamide;hydrochloride
PubChem CID120789239
Molecular FormulaC17H19Cl2N3O4
Molecular Weight400.26 g/mol
Exact Mass399.08
IUPAC NameN-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]-2-chlorophenyl]furan-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)O1
InChIInChI=1S/C17H18ClN3O4.ClH/c18-12-8-10(20-17(23)15-6-4-11(9-19)25-15)3-5-13(12)21-16(22)14-2-1-7-24-14;/h1-3,5,7-8,11,15H,4,6,9,19H2,(H,20,23)(H,21,22);1H/t11-,15+;/m1./s1
InChIKeyLIPXLXVFXIGORF-BTAXJDQBSA-N
XLogP3.05
TPSA106.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.26
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]-2-chlorophenyl]furan-2-carboxamide;hydrochloride with MolForge

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Related Compounds

(2S,5R)-N-(4-acetamido-2-chlorophenyl)-5-(aminomethyl)oxolane-2-carboxamide;hydrochloride
CID 120790753
(2S,5R)-N-(4-acetamido-2-chlorophenyl)-5-(aminomethyl)oxolane-2-carboxamide
CID 120790754
(2S,5R)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)oxolane-2-carboxamide;hydrochloride
CID 120786045
N-[3-chloro-4-(furan-2-carbonylamino)phenyl]morpholine-2-carboxamide
CID 119743095
(2S,5R)-5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)oxolane-2-carboxamide
CID 120783154
(2S,5R)-5-(aminomethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 120783138
(2S,5R)-5-(aminomethyl)-N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide;hydrochloride
CID 120782775
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
(2S,5R)-5-(aminomethyl)-N-(3-hydroxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120801761
N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074
N-[2-chloro-4-[(3-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 171982278
(2S,5R)-5-(aminomethyl)-N-(4-hydroxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120801765

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]-2-chlorophenyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]-2-chlorophenyl]furan-2-carboxamide;hydrochloride (CID 120789239) is N-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]-2-chlorophenyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]-2-chlorophenyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]-2-chlorophenyl]furan-2-carboxamide;hydrochloride is Cl.NC[C@H]1CC[C@@H](C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)O1.
What is the InChIKey of N-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]-2-chlorophenyl]furan-2-carboxamide;hydrochloride?
The InChIKey is LIPXLXVFXIGORF-BTAXJDQBSA-N. The full InChI is InChI=1S/C17H18ClN3O4.ClH/c18-12-8-10(20-17(23)15-6-4-11(9-19)25-15)3-5-13(12)21-16(22)14-2-1-7-24-14;/h1-3,5,7-8,11,15H,4,6,9,19H2,(H,20,23)(H,21,22);1H/t11-,15+;/m1./s1.
What are the key properties of N-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]-2-chlorophenyl]furan-2-carboxamide;hydrochloride?
N-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]-2-chlorophenyl]furan-2-carboxamide;hydrochloride has a molecular weight of 400.26 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]-2-chlorophenyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 120789239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).