2-[3-chloro-N-(1-cyclopropylpropyl)anilino]acetic acid

C14H18ClNO2 — CID 65057499

IUPAC2-[3-chloro-N-(1-cyclopropylpropyl)anilino]acetic acid
SMILESCCC(C1CC1)N(CC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO2/c1-2-13(10-6-7-10)16(9-14(17)18)12-5-3-4-11(15)8-12/h3-5,8,10,13H,2,6-7,9H2,1H3,(H,17,18)
InChIKeyIQRYZILRDYAVHF-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.42
Rot. Bonds6

About 2-[3-chloro-N-(1-cyclopropylpropyl)anilino]acetic acid

2-[3-chloro-N-(1-cyclopropylpropyl)anilino]acetic acid (PubChem CID 65057499) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-[3-chloro-N-(1-cyclopropylpropyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-N-(1-cyclopropylpropyl)anilino]acetic acid
PubChem CID65057499
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-[3-chloro-N-(1-cyclopropylpropyl)anilino]acetic acid
SMILESCCC(C1CC1)N(CC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO2/c1-2-13(10-6-7-10)16(9-14(17)18)12-5-3-4-11(15)8-12/h3-5,8,10,13H,2,6-7,9H2,1H3,(H,17,18)
InChIKeyIQRYZILRDYAVHF-UHFFFAOYSA-N
XLogP3.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]anilino]acetic acid
CID 65057847
2-[3-chloro-N-(3-methylbutan-2-yl)anilino]acetic acid
CID 65058859
2-[3-chloro-N-[1-(2-chlorophenyl)ethyl]anilino]acetic acid
CID 65057794
2-[3-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]anilino]acetic acid
CID 65057697
2-[3-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]anilino]acetic acid
CID 106758937
2-(3-chloro-N-cyclopentylanilino)acetic acid
CID 60833680
2-(3-chloro-N-(2-hydroxycyclopentyl)anilino)acetic acid
CID 60883963
(2R)-2-(3-chloro-N-ethylanilino)propanoic acid
CID 124583979
(2R)-2-(3-chloro-N-propylanilino)butanoic acid
CID 125045045
2-[3-chloro-N-(oxetan-3-yl)anilino]acetic acid
CID 83824916
2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid
CID 54996152
2-[3-chloro-N-(thiolan-3-yl)anilino]acetic acid
CID 65058138

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-N-(1-cyclopropylpropyl)anilino]acetic acid?
The IUPAC name of 2-[3-chloro-N-(1-cyclopropylpropyl)anilino]acetic acid (CID 65057499) is 2-[3-chloro-N-(1-cyclopropylpropyl)anilino]acetic acid.
What is the SMILES notation for 2-[3-chloro-N-(1-cyclopropylpropyl)anilino]acetic acid?
The canonical SMILES for 2-[3-chloro-N-(1-cyclopropylpropyl)anilino]acetic acid is CCC(C1CC1)N(CC(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 2-[3-chloro-N-(1-cyclopropylpropyl)anilino]acetic acid?
The InChIKey is IQRYZILRDYAVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-2-13(10-6-7-10)16(9-14(17)18)12-5-3-4-11(15)8-12/h3-5,8,10,13H,2,6-7,9H2,1H3,(H,17,18).
What are the key properties of 2-[3-chloro-N-(1-cyclopropylpropyl)anilino]acetic acid?
2-[3-chloro-N-(1-cyclopropylpropyl)anilino]acetic acid has a molecular weight of 267.76 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-N-(1-cyclopropylpropyl)anilino]acetic acid is sourced from PubChem (CID 65057499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).