N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]oxolane-2-carboxamide

C13H16ClN3O3 — CID 82034974

IUPACN-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]oxolane-2-carboxamide
SMILESNCC(=O)Nc1ccc(NC(=O)C2CCCO2)c(Cl)c1
InChIInChI=1S/C13H16ClN3O3/c14-9-6-8(16-12(18)7-15)3-4-10(9)17-13(19)11-2-1-5-20-11/h3-4,6,11H,1-2,5,7,15H2,(H,16,18)(H,17,19)
InChIKeyILJYJFLFFRYGMB-UHFFFAOYSA-N
MW297.74 g/mol
LogP1.35
Rot. Bonds4

About N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]oxolane-2-carboxamide

N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]oxolane-2-carboxamide (PubChem CID 82034974) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]oxolane-2-carboxamide
PubChem CID82034974
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC NameN-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]oxolane-2-carboxamide
SMILESNCC(=O)Nc1ccc(NC(=O)C2CCCO2)c(Cl)c1
InChIInChI=1S/C13H16ClN3O3/c14-9-6-8(16-12(18)7-15)3-4-10(9)17-13(19)11-2-1-5-20-11/h3-4,6,11H,1-2,5,7,15H2,(H,16,18)(H,17,19)
InChIKeyILJYJFLFFRYGMB-UHFFFAOYSA-N
XLogP1.35
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]cyclohexanecarboxamide
CID 39186036
N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]oxolane-2-carboxamide
CID 82034969
N-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide
CID 82034964
N-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113001183
2-chloro-4-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 113462421
(2R)-N-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide
CID 900578
(2S)-N-(2-chloro-4-nitrophenyl)oxolane-2-carboxamide
CID 7306357
N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 42906730
(2R)-N-(2,5-dichlorophenyl)oxolane-2-carboxamide
CID 1086830
N-(4-bromo-3-chlorophenyl)oxane-2-carboxamide
CID 103824509
3-chloro-4-(oxane-2-carbonylamino)benzenesulfonyl chloride
CID 62212788
5-acetamido-2-(oxolane-2-carbonylamino)benzoic acid
CID 18071014

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]oxolane-2-carboxamide (CID 82034974) is N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]oxolane-2-carboxamide is NCC(=O)Nc1ccc(NC(=O)C2CCCO2)c(Cl)c1.
What is the InChIKey of N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]oxolane-2-carboxamide?
The InChIKey is ILJYJFLFFRYGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c14-9-6-8(16-12(18)7-15)3-4-10(9)17-13(19)11-2-1-5-20-11/h3-4,6,11H,1-2,5,7,15H2,(H,16,18)(H,17,19).
What are the key properties of N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]oxolane-2-carboxamide?
N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]oxolane-2-carboxamide has a molecular weight of 297.74 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]oxolane-2-carboxamide is sourced from PubChem (CID 82034974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).