N-(2-amino-2-oxoethyl)-4-[[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]methyl]benzamide

C20H22F2N4O4 — CID 52509877

IUPACN-(2-amino-2-oxoethyl)-4-[[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]methyl]benzamide
SMILESC[C@H](NC(=O)NCc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C20H22F2N4O4/c1-12(14-6-8-16(9-7-14)30-19(21)22)26-20(29)25-10-13-2-4-15(5-3-13)18(28)24-11-17(23)27/h2-9,12,19H,10-11H2,1H3,(H2,23,27)(H,24,28)(H2,25,26,29)/t12-/m0/s1
InChIKeyHZXIUZKYGBIQBB-LBPRGKRZSA-N
MW420.42 g/mol
LogP2.06
Rot. Bonds9

About N-(2-amino-2-oxoethyl)-4-[[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]methyl]benzamide

N-(2-amino-2-oxoethyl)-4-[[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]methyl]benzamide (PubChem CID 52509877) has the molecular formula C20H22F2N4O4 and a molecular weight of 420.42 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-[[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-[[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]methyl]benzamide
PubChem CID52509877
Molecular FormulaC20H22F2N4O4
Molecular Weight420.42 g/mol
Exact Mass420.16
IUPAC NameN-(2-amino-2-oxoethyl)-4-[[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]methyl]benzamide
SMILESC[C@H](NC(=O)NCc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C20H22F2N4O4/c1-12(14-6-8-16(9-7-14)30-19(21)22)26-20(29)25-10-13-2-4-15(5-3-13)18(28)24-11-17(23)27/h2-9,12,19H,10-11H2,1H3,(H2,23,27)(H,24,28)(H2,25,26,29)/t12-/m0/s1
InChIKeyHZXIUZKYGBIQBB-LBPRGKRZSA-N
XLogP2.06
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-oxoethyl)-4-[[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-amino-2-oxoethyl)-4-[[1-[4-(difluoromethoxy)phenyl]ethylcarbamoylamino]methyl]benzamide
CID 47066698
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 51291188
2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 95054929
N-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 7948910
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
methyl N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]carbamate
CID 110474058
1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 110910143
1-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 94651103
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 35210031
N-(2-amino-2-oxoethyl)-4-[[[N-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111864802
4-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-(2-amino-2-oxoethyl)benzamide
CID 119713160
methyl 4-[(1-phenylethylcarbamoylamino)methyl]benzoate
CID 127567013

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-[[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]methyl]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-[[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]methyl]benzamide (CID 52509877) is N-(2-amino-2-oxoethyl)-4-[[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]methyl]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-[[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]methyl]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-[[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]methyl]benzamide is C[C@H](NC(=O)NCc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-[[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]methyl]benzamide?
The InChIKey is HZXIUZKYGBIQBB-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H22F2N4O4/c1-12(14-6-8-16(9-7-14)30-19(21)22)26-20(29)25-10-13-2-4-15(5-3-13)18(28)24-11-17(23)27/h2-9,12,19H,10-11H2,1H3,(H2,23,27)(H,24,28)(H2,25,26,29)/t12-/m0/s1.
What are the key properties of N-(2-amino-2-oxoethyl)-4-[[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]methyl]benzamide?
N-(2-amino-2-oxoethyl)-4-[[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]methyl]benzamide has a molecular weight of 420.42 g/mol, XLogP of 2.06, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-[[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]methyl]benzamide is sourced from PubChem (CID 52509877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).