2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide

C20H21F2N3O2 — CID 32514074

IUPAC2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CN(Cc1ccccc1)C1CC1)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H21F2N3O2/c21-17-9-6-15(10-18(17)22)24-19(26)11-23-20(27)13-25(16-7-8-16)12-14-4-2-1-3-5-14/h1-6,9-10,16H,7-8,11-13H2,(H,23,27)(H,24,26)
InChIKeyVMUNQSDKSPVYTL-UHFFFAOYSA-N
MW373.40 g/mol
LogP2.68
Rot. Bonds8

About 2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide

2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide (PubChem CID 32514074) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is 2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
PubChem CID32514074
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC Name2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CN(Cc1ccccc1)C1CC1)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H21F2N3O2/c21-17-9-6-15(10-18(17)22)24-19(26)11-23-20(27)13-25(16-7-8-16)12-14-4-2-1-3-5-14/h1-6,9-10,16H,7-8,11-13H2,(H,23,27)(H,24,26)
InChIKeyVMUNQSDKSPVYTL-UHFFFAOYSA-N
XLogP2.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 8563869
2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide
CID 32514051
2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 18087279
2-[[2-(N-benzyl-4-methoxyanilino)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 16610921
N-(3-chlorophenyl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 8872555
N-(3,4-difluorophenyl)-2-(phenylcarbamoylamino)acetamide
CID 17451179
2-(benzylcarbamothioylamino)-N-(3,4-difluorophenyl)acetamide
CID 8771439
2-(cyclopropylamino)-N-(3,4-difluorophenyl)acetamide
CID 60647201
3-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-methylbenzamide
CID 46643223
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 8872677
2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide
CID 60514622
2-[cyclopropyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid
CID 60834048

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide (CID 32514074) is 2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide is O=C(CN(Cc1ccccc1)C1CC1)NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is VMUNQSDKSPVYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c21-17-9-6-15(10-18(17)22)24-19(26)11-23-20(27)13-25(16-7-8-16)12-14-4-2-1-3-5-14/h1-6,9-10,16H,7-8,11-13H2,(H,23,27)(H,24,26).
What are the key properties of 2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 373.40 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 32514074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).