N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-chloro-1-methylindole-2-carboxamide

C18H15ClFN3O2 — CID 177140401

IUPACN-[(3-carbamoyl-4-fluorophenyl)methyl]-6-chloro-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NCc2ccc(F)c(C(N)=O)c2)cc2ccc(Cl)cc21
InChIInChI=1S/C18H15ClFN3O2/c1-23-15-8-12(19)4-3-11(15)7-16(23)18(25)22-9-10-2-5-14(20)13(6-10)17(21)24/h2-8H,9H2,1H3,(H2,21,24)(H,22,25)
InChIKeyCRLGETUKVKWKAL-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.00
Rot. Bonds4

About N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-chloro-1-methylindole-2-carboxamide

N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-chloro-1-methylindole-2-carboxamide (PubChem CID 177140401) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-chloro-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoyl-4-fluorophenyl)methyl]-6-chloro-1-methylindole-2-carboxamide
PubChem CID177140401
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC NameN-[(3-carbamoyl-4-fluorophenyl)methyl]-6-chloro-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NCc2ccc(F)c(C(N)=O)c2)cc2ccc(Cl)cc21
InChIInChI=1S/C18H15ClFN3O2/c1-23-15-8-12(19)4-3-11(15)7-16(23)18(25)22-9-10-2-5-14(20)13(6-10)17(21)24/h2-8H,9H2,1H3,(H2,21,24)(H,22,25)
InChIKeyCRLGETUKVKWKAL-UHFFFAOYSA-N
XLogP3.00
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
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-carbamoyl-4-fluorophenyl)methyl]-6-chloro-1-methylindole-2-carboxamide?
The IUPAC name of N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-chloro-1-methylindole-2-carboxamide (CID 177140401) is N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-chloro-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-chloro-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-chloro-1-methylindole-2-carboxamide is Cn1c(C(=O)NCc2ccc(F)c(C(N)=O)c2)cc2ccc(Cl)cc21.
What is the InChIKey of N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-chloro-1-methylindole-2-carboxamide?
The InChIKey is CRLGETUKVKWKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-23-15-8-12(19)4-3-11(15)7-16(23)18(25)22-9-10-2-5-14(20)13(6-10)17(21)24/h2-8H,9H2,1H3,(H2,21,24)(H,22,25).
What are the key properties of N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-chloro-1-methylindole-2-carboxamide?
N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-chloro-1-methylindole-2-carboxamide has a molecular weight of 359.79 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-chloro-1-methylindole-2-carboxamide is sourced from PubChem (CID 177140401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).