N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide

C22H20ClN3O3 — CID 174606369

IUPACN-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
SMILESNCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C22H20ClN3O3/c23-16-5-3-13(4-6-16)19-9-10-20(29-19)22(28)26-18-11-14(1-2-15(18)12-24)21(27)25-17-7-8-17/h1-6,9-11,17H,7-8,12,24H2,(H,25,27)(H,26,28)
InChIKeySAPZQTDOPUKZKO-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.20
Rot. Bonds6

About N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide

N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide (PubChem CID 174606369) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
PubChem CID174606369
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC NameN-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
SMILESNCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C22H20ClN3O3/c23-16-5-3-13(4-6-16)19-9-10-20(29-19)22(28)26-18-11-14(1-2-15(18)12-24)21(27)25-17-7-8-17/h1-6,9-11,17H,7-8,12,24H2,(H,25,27)(H,26,28)
InChIKeySAPZQTDOPUKZKO-UHFFFAOYSA-N
XLogP4.20
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide (CID 174606369) is N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide is NCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide?
The InChIKey is SAPZQTDOPUKZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c23-16-5-3-13(4-6-16)19-9-10-20(29-19)22(28)26-18-11-14(1-2-15(18)12-24)21(27)25-17-7-8-17/h1-6,9-11,17H,7-8,12,24H2,(H,25,27)(H,26,28).
What are the key properties of N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide?
N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide has a molecular weight of 409.87 g/mol, XLogP of 4.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 174606369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).