2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid

C16H20ClNO3 — CID 62586659

IUPAC2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid
SMILESO=C(O)CN(C(=O)C1CCCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO3/c17-13-7-9-14(10-8-13)18(11-15(19)20)16(21)12-5-3-1-2-4-6-12/h7-10,12H,1-6,11H2,(H,19,20)
InChIKeyKJMYXTDPXFZXNP-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.73
Rot. Bonds4

About 2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid

2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid (PubChem CID 62586659) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid
PubChem CID62586659
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid
SMILESO=C(O)CN(C(=O)C1CCCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO3/c17-13-7-9-14(10-8-13)18(11-15(19)20)16(21)12-5-3-1-2-4-6-12/h7-10,12H,1-6,11H2,(H,19,20)
InChIKeyKJMYXTDPXFZXNP-UHFFFAOYSA-N
XLogP3.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-chloro-N-(piperidine-4-carbonyl)anilino]acetic acid
CID 61161669
2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid
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2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid
CID 61161284
2-[N-(cyclopropanecarbonyl)-4-fluoroanilino]acetic acid
CID 28765585
2-(4-chloro-N-(5-oxopyrrolidine-3-carbonyl)anilino)acetic acid
CID 83191993
2-[4-chloro-N-(1,4-dioxane-2-carbonyl)anilino]acetic acid
CID 60827167
2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 63118253
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
2-(4-chloro-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid
CID 61186885
N-(anthracen-9-ylmethyl)-N-(4-chlorophenyl)cyclopentanecarboxamide
CID 7495366
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 110360995
2-(N-(1-aminocyclopentanecarbonyl)-4-chloroanilino)acetic acid
CID 61160330

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid?
The IUPAC name of 2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid (CID 62586659) is 2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid.
What is the SMILES notation for 2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid?
The canonical SMILES for 2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid is O=C(O)CN(C(=O)C1CCCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid?
The InChIKey is KJMYXTDPXFZXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c17-13-7-9-14(10-8-13)18(11-15(19)20)16(21)12-5-3-1-2-4-6-12/h7-10,12H,1-6,11H2,(H,19,20).
What are the key properties of 2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid?
2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid has a molecular weight of 309.79 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid is sourced from PubChem (CID 62586659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).