5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide

C15H21ClN2O3 — CID 108540892

IUPAC5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCNC(=O)C(C)(C)C
InChIInChI=1S/C15H21ClN2O3/c1-15(2,3)14(20)18-8-7-17-13(19)11-9-10(16)5-6-12(11)21-4/h5-6,9H,7-8H2,1-4H3,(H,17,19)(H,18,20)
InChIKeySXXWVRRDQNFHNT-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.24
Rot. Bonds5

About 5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide

5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide (PubChem CID 108540892) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
PubChem CID108540892
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCNC(=O)C(C)(C)C
InChIInChI=1S/C15H21ClN2O3/c1-15(2,3)14(20)18-8-7-17-13(19)11-9-10(16)5-6-12(11)21-4/h5-6,9H,7-8H2,1-4H3,(H,17,19)(H,18,20)
InChIKeySXXWVRRDQNFHNT-UHFFFAOYSA-N
XLogP2.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.24
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

5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994768
N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108538118
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108540873
5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide
CID 108540887
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide
CID 108572238
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]naphthalene-1-carboxamide
CID 108540845
3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide
CID 108572251
5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide
CID 114297830

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide (CID 108540892) is 5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCCNC(=O)C(C)(C)C.
What is the InChIKey of 5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide?
The InChIKey is SXXWVRRDQNFHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-15(2,3)14(20)18-8-7-17-13(19)11-9-10(16)5-6-12(11)21-4/h5-6,9H,7-8H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide?
5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide has a molecular weight of 312.80 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 108540892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).