2-[4-[(3-methoxyphenyl)carbamoylamino]phenyl]indole-1-carboxamide

C23H20N4O3 — CID 121254591

IUPAC2-[4-[(3-methoxyphenyl)carbamoylamino]phenyl]indole-1-carboxamide
SMILESCOc1cccc(NC(=O)Nc2ccc(-c3cc4ccccc4n3C(N)=O)cc2)c1
InChIInChI=1S/C23H20N4O3/c1-30-19-7-4-6-18(14-19)26-23(29)25-17-11-9-15(10-12-17)21-13-16-5-2-3-8-20(16)27(21)22(24)28/h2-14H,1H3,(H2,24,28)(H2,25,26,29)
InChIKeyKESUAIOCJKBPRI-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.89
Rot. Bonds4

About 2-[4-[(3-methoxyphenyl)carbamoylamino]phenyl]indole-1-carboxamide

2-[4-[(3-methoxyphenyl)carbamoylamino]phenyl]indole-1-carboxamide (PubChem CID 121254591) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-[4-[(3-methoxyphenyl)carbamoylamino]phenyl]indole-1-carboxamide.

Molecular Properties

Compound Name2-[4-[(3-methoxyphenyl)carbamoylamino]phenyl]indole-1-carboxamide
PubChem CID121254591
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name2-[4-[(3-methoxyphenyl)carbamoylamino]phenyl]indole-1-carboxamide
SMILESCOc1cccc(NC(=O)Nc2ccc(-c3cc4ccccc4n3C(N)=O)cc2)c1
InChIInChI=1S/C23H20N4O3/c1-30-19-7-4-6-18(14-19)26-23(29)25-17-11-9-15(10-12-17)21-13-16-5-2-3-8-20(16)27(21)22(24)28/h2-14H,1H3,(H2,24,28)(H2,25,26,29)
InChIKeyKESUAIOCJKBPRI-UHFFFAOYSA-N
XLogP4.89
TPSA98.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methoxyphenyl)carbamoylamino]phenyl]indole-1-carboxamide?
The IUPAC name of 2-[4-[(3-methoxyphenyl)carbamoylamino]phenyl]indole-1-carboxamide (CID 121254591) is 2-[4-[(3-methoxyphenyl)carbamoylamino]phenyl]indole-1-carboxamide.
What is the SMILES notation for 2-[4-[(3-methoxyphenyl)carbamoylamino]phenyl]indole-1-carboxamide?
The canonical SMILES for 2-[4-[(3-methoxyphenyl)carbamoylamino]phenyl]indole-1-carboxamide is COc1cccc(NC(=O)Nc2ccc(-c3cc4ccccc4n3C(N)=O)cc2)c1.
What is the InChIKey of 2-[4-[(3-methoxyphenyl)carbamoylamino]phenyl]indole-1-carboxamide?
The InChIKey is KESUAIOCJKBPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-30-19-7-4-6-18(14-19)26-23(29)25-17-11-9-15(10-12-17)21-13-16-5-2-3-8-20(16)27(21)22(24)28/h2-14H,1H3,(H2,24,28)(H2,25,26,29).
What are the key properties of 2-[4-[(3-methoxyphenyl)carbamoylamino]phenyl]indole-1-carboxamide?
2-[4-[(3-methoxyphenyl)carbamoylamino]phenyl]indole-1-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 4.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methoxyphenyl)carbamoylamino]phenyl]indole-1-carboxamide is sourced from PubChem (CID 121254591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).