5-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]furan-2-carboxamide

C14H15ClN2O2 — CID 81354268

IUPAC5-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(CN)o1)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O2/c1-9(10-2-4-11(15)5-3-10)17-14(18)13-7-6-12(8-16)19-13/h2-7,9H,8,16H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyRQYWUPDKCUCPAS-SECBINFHSA-N
MW278.74 g/mol
LogP2.88
Rot. Bonds4

About 5-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]furan-2-carboxamide

5-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]furan-2-carboxamide (PubChem CID 81354268) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]furan-2-carboxamide
PubChem CID81354268
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name5-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(CN)o1)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O2/c1-9(10-2-4-11(15)5-3-10)17-14(18)13-7-6-12(8-16)19-13/h2-7,9H,8,16H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyRQYWUPDKCUCPAS-SECBINFHSA-N
XLogP2.88
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]furan-2-carboxamide
CID 81373778
5-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]furan-2-carboxamide
CID 81401039
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
5-(4-chlorophenyl)-N-(1-pyridin-4-ylethyl)furan-2-carboxamide
CID 24639226
5-(aminomethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
CID 115740766
[5-(aminomethyl)furan-2-yl]-(4-propan-2-ylphenyl)methanone
CID 82085122
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
5-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 39891375
4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide
CID 78775923
N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 43297476
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide
CID 81354408
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8623654

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]furan-2-carboxamide (CID 81354268) is 5-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]furan-2-carboxamide is C[C@@H](NC(=O)c1ccc(CN)o1)c1ccc(Cl)cc1.
What is the InChIKey of 5-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]furan-2-carboxamide?
The InChIKey is RQYWUPDKCUCPAS-SECBINFHSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9(10-2-4-11(15)5-3-10)17-14(18)13-7-6-12(8-16)19-13/h2-7,9H,8,16H2,1H3,(H,17,18)/t9-/m1/s1.
What are the key properties of 5-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]furan-2-carboxamide?
5-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]furan-2-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 81354268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).