N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]furan-2-carboxamide

C15H15ClN2O3 — CID 4799228

IUPACN-[3-(3-chloro-4-methylanilino)-3-oxopropyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)CCNC(=O)c2ccco2)cc1Cl
InChIInChI=1S/C15H15ClN2O3/c1-10-4-5-11(9-12(10)16)18-14(19)6-7-17-15(20)13-3-2-8-21-13/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyIKFQQPKKXLQPFU-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.00
Rot. Bonds5

About N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]furan-2-carboxamide

N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]furan-2-carboxamide (PubChem CID 4799228) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chloro-4-methylanilino)-3-oxopropyl]furan-2-carboxamide
PubChem CID4799228
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC NameN-[3-(3-chloro-4-methylanilino)-3-oxopropyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)CCNC(=O)c2ccco2)cc1Cl
InChIInChI=1S/C15H15ClN2O3/c1-10-4-5-11(9-12(10)16)18-14(19)6-7-17-15(20)13-3-2-8-21-13/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyIKFQQPKKXLQPFU-UHFFFAOYSA-N
XLogP3.00
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]furan-2-carboxamide (CID 4799228) is N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]furan-2-carboxamide is Cc1ccc(NC(=O)CCNC(=O)c2ccco2)cc1Cl.
What is the InChIKey of N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]furan-2-carboxamide?
The InChIKey is IKFQQPKKXLQPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-10-4-5-11(9-12(10)16)18-14(19)6-7-17-15(20)13-3-2-8-21-13/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]furan-2-carboxamide?
N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]furan-2-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 4799228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).