N-[(S)-(4-carbamoylphenyl)-cyclopropylmethyl]-6-chloro-1-methylindole-2-carboxamide

C21H20ClN3O2 — CID 177140237

IUPACN-[(S)-(4-carbamoylphenyl)-cyclopropylmethyl]-6-chloro-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)N[C@H](c2ccc(C(N)=O)cc2)C2CC2)cc2ccc(Cl)cc21
InChIInChI=1S/C21H20ClN3O2/c1-25-17-11-16(22)9-8-15(17)10-18(25)21(27)24-19(12-2-3-12)13-4-6-14(7-5-13)20(23)26/h4-12,19H,2-3H2,1H3,(H2,23,26)(H,24,27)/t19-/m0/s1
InChIKeyZPLUDQBPGSBHEM-IBGZPJMESA-N
MW381.86 g/mol
LogP3.81
Rot. Bonds5

About N-[(S)-(4-carbamoylphenyl)-cyclopropylmethyl]-6-chloro-1-methylindole-2-carboxamide

N-[(S)-(4-carbamoylphenyl)-cyclopropylmethyl]-6-chloro-1-methylindole-2-carboxamide (PubChem CID 177140237) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-[(S)-(4-carbamoylphenyl)-cyclopropylmethyl]-6-chloro-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-(4-carbamoylphenyl)-cyclopropylmethyl]-6-chloro-1-methylindole-2-carboxamide
PubChem CID177140237
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC NameN-[(S)-(4-carbamoylphenyl)-cyclopropylmethyl]-6-chloro-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)N[C@H](c2ccc(C(N)=O)cc2)C2CC2)cc2ccc(Cl)cc21
InChIInChI=1S/C21H20ClN3O2/c1-25-17-11-16(22)9-8-15(17)10-18(25)21(27)24-19(12-2-3-12)13-4-6-14(7-5-13)20(23)26/h4-12,19H,2-3H2,1H3,(H2,23,26)(H,24,27)/t19-/m0/s1
InChIKeyZPLUDQBPGSBHEM-IBGZPJMESA-N
XLogP3.81
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide
CID 110833586
6-chloro-N-[1-(2-cyclopropylpyrimidin-5-yl)ethyl]-1-methylindole-2-carboxamide
CID 177140177
6-chloro-N-[1-(3-cyano-4-sulfinamoylphenyl)ethyl]-1-methylindole-2-carboxamide
CID 177139968
4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide
CID 56545772
6-chloro-N-[(1S)-1-[4-(cyanomethyl)phenyl]ethyl]-1-methylindole-2-carboxamide
CID 177140014
N-[1-(6-aminosulfanyl-5-chloro-3-pyridinyl)ethyl]-6-chloro-1-methylindole-2-carboxamide;ethane
CID 177140289
2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid
CID 110835856
N-[(4-chlorophenyl)-cyclopropylmethyl]benzamide
CID 17494418
6-chloro-N-[1-(2-chloro-4-methylsulfonylphenyl)ethyl]-1-methylindole-2-carboxamide
CID 177140120
N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 98287820
6-chloro-N-[1-[3-methanimidoyl-4-(methylamino)phenyl]ethyl]-1-methylindole-2-carboxamide
CID 177139948
6-chloro-1-methyl-N-[(4R)-7-(methylcarbamoyl)-3,4-dihydro-2H-chromen-4-yl]indole-2-carboxamide
CID 177140131

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-carbamoylphenyl)-cyclopropylmethyl]-6-chloro-1-methylindole-2-carboxamide?
The IUPAC name of N-[(S)-(4-carbamoylphenyl)-cyclopropylmethyl]-6-chloro-1-methylindole-2-carboxamide (CID 177140237) is N-[(S)-(4-carbamoylphenyl)-cyclopropylmethyl]-6-chloro-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(S)-(4-carbamoylphenyl)-cyclopropylmethyl]-6-chloro-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(S)-(4-carbamoylphenyl)-cyclopropylmethyl]-6-chloro-1-methylindole-2-carboxamide is Cn1c(C(=O)N[C@H](c2ccc(C(N)=O)cc2)C2CC2)cc2ccc(Cl)cc21.
What is the InChIKey of N-[(S)-(4-carbamoylphenyl)-cyclopropylmethyl]-6-chloro-1-methylindole-2-carboxamide?
The InChIKey is ZPLUDQBPGSBHEM-IBGZPJMESA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-25-17-11-16(22)9-8-15(17)10-18(25)21(27)24-19(12-2-3-12)13-4-6-14(7-5-13)20(23)26/h4-12,19H,2-3H2,1H3,(H2,23,26)(H,24,27)/t19-/m0/s1.
What are the key properties of N-[(S)-(4-carbamoylphenyl)-cyclopropylmethyl]-6-chloro-1-methylindole-2-carboxamide?
N-[(S)-(4-carbamoylphenyl)-cyclopropylmethyl]-6-chloro-1-methylindole-2-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-carbamoylphenyl)-cyclopropylmethyl]-6-chloro-1-methylindole-2-carboxamide is sourced from PubChem (CID 177140237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).