N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyrimidin-2-yl)-N-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-2-carboxamide

C29H23ClF4N6O4 — CID 78140751

IUPACN-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyrimidin-2-yl)-N-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-2-carboxamide
SMILESN#Cc1ccnc(N2C(=O)CCC2C(=O)N(c2cccc(OC(F)F)c2)C(C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)n1
InChIInChI=1S/C29H23ClF4N6O4/c30-21-7-2-1-6-20(21)24(25(42)37-17-13-29(33,34)14-17)39(18-4-3-5-19(12-18)44-27(31)32)26(43)22-8-9-23(41)40(22)28-36-11-10-16(15-35)38-28/h1-7,10-12,17,22,24,27H,8-9,13-14H2,(H,37,42)
InChIKeyGZRVPCGRUARFDO-UHFFFAOYSA-N
MW630.99 g/mol
LogP4.79
Rot. Bonds9

About N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyrimidin-2-yl)-N-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-2-carboxamide

N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyrimidin-2-yl)-N-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 78140751) has the molecular formula C29H23ClF4N6O4 and a molecular weight of 630.99 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyrimidin-2-yl)-N-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyrimidin-2-yl)-N-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID78140751
Molecular FormulaC29H23ClF4N6O4
Molecular Weight630.99 g/mol
Exact Mass630.14
IUPAC NameN-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyrimidin-2-yl)-N-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-2-carboxamide
SMILESN#Cc1ccnc(N2C(=O)CCC2C(=O)N(c2cccc(OC(F)F)c2)C(C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)n1
InChIInChI=1S/C29H23ClF4N6O4/c30-21-7-2-1-6-20(21)24(25(42)37-17-13-29(33,34)14-17)39(18-4-3-5-19(12-18)44-27(31)32)26(43)22-8-9-23(41)40(22)28-36-11-10-16(15-35)38-28/h1-7,10-12,17,22,24,27H,8-9,13-14H2,(H,37,42)
InChIKeyGZRVPCGRUARFDO-UHFFFAOYSA-N
XLogP4.79
TPSA128.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.99
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyrimidin-2-yl)-N-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyrimidin-2-yl)-N-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyrimidin-2-yl)-N-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-2-carboxamide (CID 78140751) is N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyrimidin-2-yl)-N-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyrimidin-2-yl)-N-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyrimidin-2-yl)-N-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-2-carboxamide is N#Cc1ccnc(N2C(=O)CCC2C(=O)N(c2cccc(OC(F)F)c2)C(C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)n1.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyrimidin-2-yl)-N-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is GZRVPCGRUARFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClF4N6O4/c30-21-7-2-1-6-20(21)24(25(42)37-17-13-29(33,34)14-17)39(18-4-3-5-19(12-18)44-27(31)32)26(43)22-8-9-23(41)40(22)28-36-11-10-16(15-35)38-28/h1-7,10-12,17,22,24,27H,8-9,13-14H2,(H,37,42).
What are the key properties of N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyrimidin-2-yl)-N-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-2-carboxamide?
N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyrimidin-2-yl)-N-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 630.99 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyrimidin-2-yl)-N-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 78140751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).