N-butyl-2-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]benzamide

C21H25ClN2O3 — CID 38008825

IUPACN-butyl-2-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1Cl
InChIInChI=1S/C21H25ClN2O3/c1-3-5-14-23-20(25)15-10-6-8-12-17(15)24-21(26)18(4-2)27-19-13-9-7-11-16(19)22/h6-13,18H,3-5,14H2,1-2H3,(H,23,25)(H,24,26)/t18-/m1/s1
InChIKeyAXYGKLVBGMMRMK-GOSISDBHSA-N
MW388.90 g/mol
LogP4.67
Rot. Bonds9

About N-butyl-2-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]benzamide

N-butyl-2-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]benzamide (PubChem CID 38008825) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-butyl-2-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-2-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]benzamide
PubChem CID38008825
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC NameN-butyl-2-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1Cl
InChIInChI=1S/C21H25ClN2O3/c1-3-5-14-23-20(25)15-10-6-8-12-17(15)24-21(26)18(4-2)27-19-13-9-7-11-16(19)22/h6-13,18H,3-5,14H2,1-2H3,(H,23,25)(H,24,26)/t18-/m1/s1
InChIKeyAXYGKLVBGMMRMK-GOSISDBHSA-N
XLogP4.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.67
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

N-butyl-2-[[(2S)-2-(4-fluorophenoxy)butanoyl]amino]benzamide
CID 28632385
2-[2-(2-chlorophenoxy)butanoylamino]benzamide
CID 53284900
N-butyl-2-[[(2S)-2-(3,4-dimethylphenoxy)butanoyl]amino]benzamide
CID 28631856
N-(2-methoxyethyl)-2-[2-(2-methylphenoxy)butanoylamino]benzamide
CID 17150336
2-(2-chlorophenoxy)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53284308
methyl 3-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]-2-methylbenzoate
CID 92677984
(2R)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573433
(2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573436
4-[2-(2-chlorophenoxy)butanoylamino]butanoic acid
CID 119352786
(2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 94016511
(2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide
CID 28632344
2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 43885641

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]benzamide?
The IUPAC name of N-butyl-2-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]benzamide (CID 38008825) is N-butyl-2-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]benzamide.
What is the SMILES notation for N-butyl-2-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]benzamide?
The canonical SMILES for N-butyl-2-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]benzamide is CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1Cl.
What is the InChIKey of N-butyl-2-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]benzamide?
The InChIKey is AXYGKLVBGMMRMK-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-3-5-14-23-20(25)15-10-6-8-12-17(15)24-21(26)18(4-2)27-19-13-9-7-11-16(19)22/h6-13,18H,3-5,14H2,1-2H3,(H,23,25)(H,24,26)/t18-/m1/s1.
What are the key properties of N-butyl-2-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]benzamide?
N-butyl-2-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]benzamide has a molecular weight of 388.90 g/mol, XLogP of 4.67, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]benzamide is sourced from PubChem (CID 38008825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).