methyl 6-[(3-chlorobenzoyl)amino]hexanoate

C14H18ClNO3 — CID 43404554

IUPACmethyl 6-[(3-chlorobenzoyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO3/c1-19-13(17)8-3-2-4-9-16-14(18)11-6-5-7-12(15)10-11/h5-7,10H,2-4,8-9H2,1H3,(H,16,18)
InChIKeyDKQYIZPFAIHVHH-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.80
Rot. Bonds7

About methyl 6-[(3-chlorobenzoyl)amino]hexanoate

methyl 6-[(3-chlorobenzoyl)amino]hexanoate (PubChem CID 43404554) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is methyl 6-[(3-chlorobenzoyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(3-chlorobenzoyl)amino]hexanoate
PubChem CID43404554
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Namemethyl 6-[(3-chlorobenzoyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO3/c1-19-13(17)8-3-2-4-9-16-14(18)11-6-5-7-12(15)10-11/h5-7,10H,2-4,8-9H2,1H3,(H,16,18)
InChIKeyDKQYIZPFAIHVHH-UHFFFAOYSA-N
XLogP2.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 7-[(3-phenoxybenzoyl)amino]heptanoate
CID 36622065
methyl 6-[(3-phenoxybenzoyl)amino]hexanoate
CID 31839416
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate
CID 103605118
methyl 6-[(3-bromo-4-chlorobenzoyl)amino]hexanoate
CID 103841612
methyl 5-(naphthalene-2-carbonylamino)pentanoate
CID 42598707
tert-butyl N-[4-[(3-chlorobenzoyl)amino]butyl]carbamate
CID 139824741
methyl 4-benzamidobutanoate
CID 13197711
methyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate
CID 110488216
methyl 7-[(4-acetylbenzoyl)amino]heptanoate
CID 163207825
methyl 5-[(2-bromo-4-chlorobenzoyl)amino]pentanoate
CID 91659527
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-chlorobenzoyl)amino]hexanoate?
The IUPAC name of methyl 6-[(3-chlorobenzoyl)amino]hexanoate (CID 43404554) is methyl 6-[(3-chlorobenzoyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(3-chlorobenzoyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(3-chlorobenzoyl)amino]hexanoate is COC(=O)CCCCCNC(=O)c1cccc(Cl)c1.
What is the InChIKey of methyl 6-[(3-chlorobenzoyl)amino]hexanoate?
The InChIKey is DKQYIZPFAIHVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-19-13(17)8-3-2-4-9-16-14(18)11-6-5-7-12(15)10-11/h5-7,10H,2-4,8-9H2,1H3,(H,16,18).
What are the key properties of methyl 6-[(3-chlorobenzoyl)amino]hexanoate?
methyl 6-[(3-chlorobenzoyl)amino]hexanoate has a molecular weight of 283.75 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-chlorobenzoyl)amino]hexanoate is sourced from PubChem (CID 43404554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).