N-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide

C19H19ClN2O3 — CID 55724790

IUPACN-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide
SMILESO=C(NCCOc1cccc(Cl)c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H19ClN2O3/c20-15-2-1-3-17(12-15)25-11-10-21-18(23)13-6-8-16(9-7-13)22-19(24)14-4-5-14/h1-3,6-9,12,14H,4-5,10-11H2,(H,21,23)(H,22,24)
InChIKeyBCUSDZDCVXURNU-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.50
Rot. Bonds7

About N-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide

N-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide (PubChem CID 55724790) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide
PubChem CID55724790
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide
SMILESO=C(NCCOc1cccc(Cl)c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H19ClN2O3/c20-15-2-1-3-17(12-15)25-11-10-21-18(23)13-6-8-16(9-7-13)22-19(24)14-4-5-14/h1-3,6-9,12,14H,4-5,10-11H2,(H,21,23)(H,22,24)
InChIKeyBCUSDZDCVXURNU-UHFFFAOYSA-N
XLogP3.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572169
3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide
CID 33047741
3-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
CID 119734978
3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 26058931
N-[2-(3-chlorophenoxy)ethyl]-4-[ethyl(methyl)amino]benzamide
CID 47081813
N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide
CID 112830319
N-[4-[2-(3-bromophenoxy)ethoxy]phenyl]cyclopropanecarboxamide
CID 60522384
N-[2-(3-chlorophenoxy)ethyl]pyridine-3-carboxamide
CID 113099430
4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146679
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 121062397

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide (CID 55724790) is N-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide is O=C(NCCOc1cccc(Cl)c1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide?
The InChIKey is BCUSDZDCVXURNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-15-2-1-3-17(12-15)25-11-10-21-18(23)13-6-8-16(9-7-13)22-19(24)14-4-5-14/h1-3,6-9,12,14H,4-5,10-11H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide?
N-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide has a molecular weight of 358.83 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide is sourced from PubChem (CID 55724790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).