4-chloro-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-4-oxobutyl]benzamide

C15H21ClN2O3 — CID 30481575

IUPAC4-chloro-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-4-oxobutyl]benzamide
SMILESCOC[C@@H](C)NC(=O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3/c1-11(10-21-2)18-14(19)4-3-9-17-15(20)12-5-7-13(16)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,20)(H,18,19)/t11-/m1/s1
InChIKeyLWJXCVHJXARKKO-LLVKDONJSA-N
MW312.80 g/mol
LogP2.00
Rot. Bonds8

About 4-chloro-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-4-oxobutyl]benzamide

4-chloro-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-4-oxobutyl]benzamide (PubChem CID 30481575) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 4-chloro-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-4-oxobutyl]benzamide
PubChem CID30481575
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name4-chloro-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-4-oxobutyl]benzamide
SMILESCOC[C@@H](C)NC(=O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3/c1-11(10-21-2)18-14(19)4-3-9-17-15(20)12-5-7-13(16)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,20)(H,18,19)/t11-/m1/s1
InChIKeyLWJXCVHJXARKKO-LLVKDONJSA-N
XLogP2.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.00
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-chloro-N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]benzamide
CID 18161035
4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide
CID 40897930
N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 18161073
4-chloro-N-[3-[[(2R)-5-methylhexan-2-yl]amino]-3-oxopropyl]benzamide
CID 26519163
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180809
3-[4-[(4-chlorobenzoyl)amino]butanoylamino]-2-methylpropanoic acid
CID 119237285
4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide
CID 30877404
4-chloro-N-[4-(ethoxyamino)-4-oxobutyl]benzamide
CID 18169010
N-(5-bromo-4-methylpentyl)-4-chlorobenzamide
CID 106157415
N-[3-(1-methoxypropan-2-ylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 46573507
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-4-oxobutyl]benzamide (CID 30481575) is 4-chloro-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-4-oxobutyl]benzamide is COC[C@@H](C)NC(=O)CCCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-4-oxobutyl]benzamide?
The InChIKey is LWJXCVHJXARKKO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-11(10-21-2)18-14(19)4-3-9-17-15(20)12-5-7-13(16)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,20)(H,18,19)/t11-/m1/s1.
What are the key properties of 4-chloro-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-4-oxobutyl]benzamide?
4-chloro-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-4-oxobutyl]benzamide has a molecular weight of 312.80 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 30481575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).