4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)oxane-4-carboxamide

C13H16ClFN2O2 — CID 115438956

IUPAC4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2cccc(Cl)c2F)CCOCC1
InChIInChI=1S/C13H16ClFN2O2/c14-9-2-1-3-10(11(9)15)17-12(18)13(8-16)4-6-19-7-5-13/h1-3H,4-8,16H2,(H,17,18)
InChIKeyNCFQYECCMUUYRN-UHFFFAOYSA-N
MW286.73 g/mol
LogP2.17
Rot. Bonds3

About 4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)oxane-4-carboxamide

4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)oxane-4-carboxamide (PubChem CID 115438956) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)oxane-4-carboxamide
PubChem CID115438956
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC Name4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2cccc(Cl)c2F)CCOCC1
InChIInChI=1S/C13H16ClFN2O2/c14-9-2-1-3-10(11(9)15)17-12(18)13(8-16)4-6-19-7-5-13/h1-3H,4-8,16H2,(H,17,18)
InChIKeyNCFQYECCMUUYRN-UHFFFAOYSA-N
XLogP2.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(aminomethyl)-N-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide
CID 115443760
4-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]oxane-4-carboxamide
CID 120921952
4-(aminomethyl)-N-(2-bromophenyl)oxane-4-carboxamide
CID 115438925
4-(aminomethyl)-N-(2-hydroxy-3-methylphenyl)oxane-4-carboxamide
CID 115439713
4-(aminomethyl)-N-(2-carbamoylphenyl)oxane-4-carboxamide
CID 115438930
1-(3-chloro-2-fluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936276
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-6-methylbenzoic acid
CID 115439600
4-(aminomethyl)-N-(4-chloro-2-iodophenyl)oxane-4-carboxamide
CID 107625438
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-5-chlorobenzoic acid
CID 115439336
4-(aminomethyl)-N-[2-(methylcarbamoyl)phenyl]oxane-4-carboxamide
CID 115438931
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-4-chlorobenzoic acid
CID 115439349
3-amino-N-(3-chloro-2-fluorophenyl)propanamide
CID 28969296

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)oxane-4-carboxamide (CID 115438956) is 4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)oxane-4-carboxamide is NCC1(C(=O)Nc2cccc(Cl)c2F)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)oxane-4-carboxamide?
The InChIKey is NCFQYECCMUUYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c14-9-2-1-3-10(11(9)15)17-12(18)13(8-16)4-6-19-7-5-13/h1-3H,4-8,16H2,(H,17,18).
What are the key properties of 4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)oxane-4-carboxamide?
4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)oxane-4-carboxamide has a molecular weight of 286.73 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 115438956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).