N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide

C21H22FN3O4 — CID 121062403

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
SMILESO=C(COc1ccccc1F)Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1
InChIInChI=1S/C21H22FN3O4/c22-17-3-1-2-4-18(17)29-13-19(26)25-16-9-7-15(8-10-16)21(28)24-12-11-23-20(27)14-5-6-14/h1-4,7-10,14H,5-6,11-13H2,(H,23,27)(H,24,28)(H,25,26)
InChIKeyLJXOYLZLIYUOCZ-UHFFFAOYSA-N
MW399.42 g/mol
LogP2.10
Rot. Bonds9

About N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide

N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide (PubChem CID 121062403) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
PubChem CID121062403
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
SMILESO=C(COc1ccccc1F)Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1
InChIInChI=1S/C21H22FN3O4/c22-17-3-1-2-4-18(17)29-13-19(26)25-16-9-7-15(8-10-16)21(28)24-12-11-23-20(27)14-5-6-14/h1-4,7-10,14H,5-6,11-13H2,(H,23,27)(H,24,28)(H,25,26)
InChIKeyLJXOYLZLIYUOCZ-UHFFFAOYSA-N
XLogP2.10
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 121062397
4-[[2-(2-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide
CID 87005359
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
CID 121062535
N-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 121063227
N-[4-[1-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021118
4-[(2-naphthalen-1-yloxyacetyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062341
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218233
2-(2-fluorophenoxy)ethyl 4-(cyclopropanecarbonylamino)benzoate
CID 42986213
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide
CID 121062396
N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102199
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 121062502
N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-ethoxynaphthalene-1-carboxamide
CID 121062474

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide (CID 121062403) is N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide is O=C(COc1ccccc1F)Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide?
The InChIKey is LJXOYLZLIYUOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4/c22-17-3-1-2-4-18(17)29-13-19(26)25-16-9-7-15(8-10-16)21(28)24-12-11-23-20(27)14-5-6-14/h1-4,7-10,14H,5-6,11-13H2,(H,23,27)(H,24,28)(H,25,26).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide has a molecular weight of 399.42 g/mol, XLogP of 2.10, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 121062403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).