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

C21H22ClN3O4 — CID 121062397

IUPAC4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1
InChIInChI=1S/C21H22ClN3O4/c22-16-5-9-18(10-6-16)29-13-19(26)25-17-7-3-15(4-8-17)21(28)24-12-11-23-20(27)14-1-2-14/h3-10,14H,1-2,11-13H2,(H,23,27)(H,24,28)(H,25,26)
InChIKeyGBBBZQGUGXPBPZ-UHFFFAOYSA-N
MW415.88 g/mol
LogP2.61
Rot. Bonds9

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

4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide (PubChem CID 121062397) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
PubChem CID121062397
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC Name4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1
InChIInChI=1S/C21H22ClN3O4/c22-16-5-9-18(10-6-16)29-13-19(26)25-17-7-3-15(4-8-17)21(28)24-12-11-23-20(27)14-1-2-14/h3-10,14H,1-2,11-13H2,(H,23,27)(H,24,28)(H,25,26)
InChIKeyGBBBZQGUGXPBPZ-UHFFFAOYSA-N
XLogP2.61
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 52.61
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

N-[2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062573
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
CID 121062535
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
CID 121062403
2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid
CID 45434797
N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide
CID 46104013
N-[2-[[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062685
N-[2-(cyclohexanecarbonylamino)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55805957
N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide
CID 923350
N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 134002141
2-(4-chlorophenoxy)-N-[4-(cyclopentylamino)phenyl]acetamide
CID 112980612
5-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-methoxybenzamide
CID 121062446
N-[2-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062689

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide?
The IUPAC name of 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide (CID 121062397) is 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide.
What is the SMILES notation for 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide?
The canonical SMILES for 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide is O=C(COc1ccc(Cl)cc1)Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1.
What is the InChIKey of 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide?
The InChIKey is GBBBZQGUGXPBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c22-16-5-9-18(10-6-16)29-13-19(26)25-17-7-3-15(4-8-17)21(28)24-12-11-23-20(27)14-1-2-14/h3-10,14H,1-2,11-13H2,(H,23,27)(H,24,28)(H,25,26).
What are the key properties of 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide?
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide has a molecular weight of 415.88 g/mol, XLogP of 2.61, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide is sourced from PubChem (CID 121062397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).