N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-1-(2,3-difluorophenyl)-N-[(3R)-piperidin-3-yl]cyclopropane-1-carboxamide

C24H26BrF2N3O2 — CID 68754348

IUPACN-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-1-(2,3-difluorophenyl)-N-[(3R)-piperidin-3-yl]cyclopropane-1-carboxamide
SMILESNC(=O)[C@H](Cc1ccc(Br)cc1)N(C(=O)C1(c2cccc(F)c2F)CC1)[C@@H]1CCCNC1
InChIInChI=1S/C24H26BrF2N3O2/c25-16-8-6-15(7-9-16)13-20(22(28)31)30(17-3-2-12-29-14-17)23(32)24(10-11-24)18-4-1-5-19(26)21(18)27/h1,4-9,17,20,29H,2-3,10-14H2,(H2,28,31)/t17-,20+/m1/s1
InChIKeyCWOGRLRINOEEGH-XLIONFOSSA-N
MW506.39 g/mol
LogP3.44
Rot. Bonds7

About N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-1-(2,3-difluorophenyl)-N-[(3R)-piperidin-3-yl]cyclopropane-1-carboxamide

N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-1-(2,3-difluorophenyl)-N-[(3R)-piperidin-3-yl]cyclopropane-1-carboxamide (PubChem CID 68754348) has the molecular formula C24H26BrF2N3O2 and a molecular weight of 506.39 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-1-(2,3-difluorophenyl)-N-[(3R)-piperidin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-1-(2,3-difluorophenyl)-N-[(3R)-piperidin-3-yl]cyclopropane-1-carboxamide
PubChem CID68754348
Molecular FormulaC24H26BrF2N3O2
Molecular Weight506.39 g/mol
Exact Mass505.12
IUPAC NameN-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-1-(2,3-difluorophenyl)-N-[(3R)-piperidin-3-yl]cyclopropane-1-carboxamide
SMILESNC(=O)[C@H](Cc1ccc(Br)cc1)N(C(=O)C1(c2cccc(F)c2F)CC1)[C@@H]1CCCNC1
InChIInChI=1S/C24H26BrF2N3O2/c25-16-8-6-15(7-9-16)13-20(22(28)31)30(17-3-2-12-29-14-17)23(32)24(10-11-24)18-4-1-5-19(26)21(18)27/h1,4-9,17,20,29H,2-3,10-14H2,(H2,28,31)/t17-,20+/m1/s1
InChIKeyCWOGRLRINOEEGH-XLIONFOSSA-N
XLogP3.44
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-1-(2,3-difluorophenyl)-N-[(3R)-piperidin-3-yl]cyclopropane-1-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-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-1-(2,3-difluorophenyl)-N-[(3R)-piperidin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-1-(2,3-difluorophenyl)-N-[(3R)-piperidin-3-yl]cyclopropane-1-carboxamide (CID 68754348) is N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-1-(2,3-difluorophenyl)-N-[(3R)-piperidin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-1-(2,3-difluorophenyl)-N-[(3R)-piperidin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-1-(2,3-difluorophenyl)-N-[(3R)-piperidin-3-yl]cyclopropane-1-carboxamide is NC(=O)[C@H](Cc1ccc(Br)cc1)N(C(=O)C1(c2cccc(F)c2F)CC1)[C@@H]1CCCNC1.
What is the InChIKey of N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-1-(2,3-difluorophenyl)-N-[(3R)-piperidin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is CWOGRLRINOEEGH-XLIONFOSSA-N. The full InChI is InChI=1S/C24H26BrF2N3O2/c25-16-8-6-15(7-9-16)13-20(22(28)31)30(17-3-2-12-29-14-17)23(32)24(10-11-24)18-4-1-5-19(26)21(18)27/h1,4-9,17,20,29H,2-3,10-14H2,(H2,28,31)/t17-,20+/m1/s1.
What are the key properties of N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-1-(2,3-difluorophenyl)-N-[(3R)-piperidin-3-yl]cyclopropane-1-carboxamide?
N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-1-(2,3-difluorophenyl)-N-[(3R)-piperidin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 506.39 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-1-(2,3-difluorophenyl)-N-[(3R)-piperidin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 68754348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).