3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide

C18H25ClN2O4 — CID 51153085

IUPAC3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)NCCNC(=O)C2CC2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C18H25ClN2O4/c1-11(2)10-25-16-14(19)8-13(9-15(16)24-3)18(23)21-7-6-20-17(22)12-4-5-12/h8-9,11-12H,4-7,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyGJLVOHBURUKSBV-UHFFFAOYSA-N
MW368.86 g/mol
LogP2.64
Rot. Bonds9

About 3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide

3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide (PubChem CID 51153085) has the molecular formula C18H25ClN2O4 and a molecular weight of 368.86 g/mol. Its IUPAC name is 3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide
PubChem CID51153085
Molecular FormulaC18H25ClN2O4
Molecular Weight368.86 g/mol
Exact Mass368.15
IUPAC Name3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)NCCNC(=O)C2CC2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C18H25ClN2O4/c1-11(2)10-25-16-14(19)8-13(9-15(16)24-3)18(23)21-7-6-20-17(22)12-4-5-12/h8-9,11-12H,4-7,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyGJLVOHBURUKSBV-UHFFFAOYSA-N
XLogP2.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate
CID 7994307
3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide
CID 78767621
5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid
CID 119234484
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450911
3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 120653783
3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252
3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzamide
CID 120598880
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide
CID 41276636
3-chloro-N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 95782555
tert-butyl 4-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]piperidine-1-carboxylate
CID 55987274
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide
CID 47120108

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide?
The IUPAC name of 3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide (CID 51153085) is 3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide is COc1cc(C(=O)NCCNC(=O)C2CC2)cc(Cl)c1OCC(C)C.
What is the InChIKey of 3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide?
The InChIKey is GJLVOHBURUKSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O4/c1-11(2)10-25-16-14(19)8-13(9-15(16)24-3)18(23)21-7-6-20-17(22)12-4-5-12/h8-9,11-12H,4-7,10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide?
3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide has a molecular weight of 368.86 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 51153085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).